SCHEMBL22639010

SCHEMBL22639010

Cc1cccc(C(=O)C(O)(C(=O)O)C(O)C(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.38
KMT2A Q03164 3/20 0.38
TRPA1 O75762 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1B10 O60218 1/20 0.38
ABCB11 O95342 1/20 0.38
DHFR P00374 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM1 P11229 1/20 0.38
AKR1B1 P15121 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HIF1A Q16665 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30122149 1.00 MYC (0.38) MYCKMT2ATRPA1MEN1LMNA
Water SCHEMBL23070689 0.98 MYC (0.37) MYCKMT2ATRPA1MEN1LMNA
SCHEMBL3644471 0.88 HPGD (0.40) MYCKMT2ACYP3A4CYP2C9HSD17B10
SCHEMBL29869399 0.88 HPGD (0.40) MYCKMT2ACYP3A4CYP2C9HSD17B10
SCHEMBL1443195 0.88 HPGD (0.40) MYCKMT2ACYP3A4CYP2C9HSD17B10
SCHEMBL248670 0.88 HPGD (0.40) MYCKMT2ACYP3A4CYP2C9HSD17B10
SCHEMBL28195204 0.75 CES2 (0.44) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL28127994 0.75 ALDH1A1 (0.47) CYP1A2ALDH1A1HPGDNPC1RAB9A
SCHEMBL2722029 0.75 HPGD (0.43) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL7181728 0.75 HPGD (0.43) KMT2AHSD17B10KDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420658-B Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-09-20 CN claimed
CN-118420658-A Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-08-02 CN claimed
WO-2021043187-A1 METHOD FOR PREPARING BORON SALT OF DIPEPTIDE OF VALINE-PROLINE 上海馨远医药科技有限公司 2021-03-11 WO claimed
CN-117402104-B Preparation method of chiral intermediate of atorvastatin CHONGQING MEDICAL UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-122074028-A Heated aerosol-generating article for reducing malodour 菲利普莫里斯生产公司 2026-05-22 CN disclosed
CN-119731257-A Hydrogels for soft tissue filling 泰奥赛恩股份公司 2025-03-28 CN disclosed
CN-118420658-B Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-09-20 CN disclosed
CN-118420658-A Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-08-02 CN disclosed
CN-117402104-A Preparation method of chiral intermediate of atorvastatin 重庆医科大学 2024-01-16 CN disclosed
CN-114163380-B Alvacpam intermediate and preparation method and application thereof 重庆医科大学 2023-11-07 CN disclosed
CN-115572252-A Isoindolinone inhibitors of MDM2-P53 interaction with anti-cancer activity 阿斯泰克斯治疗有限公司 2023-01-06 CN disclosed
CN-110603251-A Combination of isoindolinone derivatives and SGI-110 阿斯泰克斯治疗有限公司 2019-12-20 CN disclosed
CN-106699712-B Walla pa sand intermediate and preparation method thereof 上海博志研新药物技术有限公司 2019-03-01 CN disclosed
CN-106795147-A Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use 美国安进公司 2017-05-31 CN disclosed
CN-106699712-A Vorapaxar intermediate and preparation method thereof 上海博志研新药物技术有限公司 2017-05-24 CN disclosed
CN-104284895-B Nitrogenous dicyclic aromatic heterocyclic compounds 安斯泰来制药株式会社 2016-08-31 CN disclosed
CN-102076338-A Diaryl ureas for the treatment of heart failure BAYER SCHERING PHARMA AG 2011-05-25 CN disclosed
CN-1671380-B Broadspectrum 2-amino-benzothiazole sulfonamide HIV protease inhibitors TIBOTEC PHARM LTD 2010-05-26 CN disclosed
CN-1953751-A Combination of substituted 1-phenyl-1, 5-dihydro-pyrido- [3, 2-B ] indol-2-ones and other HIV inhibitors TIBOTEC PHARM LTD (IE) 2007-04-25 CN disclosed
CN-1671380-A Broadspectrum 2-amino-benzothiazole sulfonamide HIV protease inhibitors TIBOTEC PHARM LTD (IE) 2005-09-21 CN disclosed