Sugi Predict

Sugi Predict / Compounds / SCHEMBL1680252

SCHEMBL1680252

SCHEMBL1680252

COc1c(Br)cccc1C(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL32681778 1.00 KMT2A (0.36) KMT2ACYP3A4CYP2C19ATMALDH1A1
SCHEMBL3065896 1.00 KMT2A (0.36) KMT2ACYP3A4CYP2C19ATMALDH1A1
SCHEMBL29731059 1.00 KMT2A (0.36) KMT2ACYP3A4CYP2C19ATMALDH1A1
SCHEMBL618635 0.84 GABRA1 (0.41) KMT2ACYP3A4CYP2C19NQO2FAAH
SCHEMBL1302413 0.82 NQO2 (0.36) KMT2ACYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL23526103 0.81 CYP1A2 (0.41) CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL30013986 0.81 CYP1A2 (0.41) CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL23526102 0.81 CYP1A2 (0.41) CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL3062204 0.80 NQO2 (0.33) KMT2ACYP3A4CYP2C19ALDH1A1ALOX15
SCHEMBL7786046 0.80 AOC3 (0.36) KMT2ACYP3A4CYP2C19ALDH1A1ALOX15

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671743-A Preparation method of (S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol 石家庄手性化学有限公司 2022-06-28 — — CN claimed
CN-112852769-B Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-10-08 — — CN claimed
CN-114671743-A Preparation method of (S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol 石家庄手性化学有限公司 2022-06-28 — — CN disclosed
CN-114671743-A Preparation method of (S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol 石家庄手性化学有限公司 2022-06-28 — — CN disclosed
CN-114671743-A Preparation method of (S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol 石家庄手性化学有限公司 2022-06-28 — — CN disclosed
CN-112852769-B Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-10-08 — — CN disclosed
CN-112852769-B Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-10-08 — — CN disclosed
CN-112852769-A Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-05-28 — — CN disclosed
CN-112852769-A Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-05-28 — — CN disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 — — WO disclosed
EP-2303264-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS Allergan, Inc. (US) 2011-04-06 — — EP disclosed
WO-2009152053-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS USING IMIDAZOLINE DERIVATES ALLERGAN, INC. (US) 2009-12-17 — — WO disclosed
WO-2009152052-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-17 — — WO disclosed