SCHEMBL4755686

SCHEMBL4755686

C[C@@](N)(C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 1/20 0.51
PTPN1 P18031 1/20 0.46
KIF11 P52732 1/20 0.44
PKM P14618 1/20 0.44
CASR P41180 1/20 0.43
CYP3A4 P08684 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.39
KAT6A Q92794 1/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL514964 1.00 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19PTPN1KIF11
SCHEMBL5970098 1.00 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19PTPN1KIF11
SCHEMBL17545257 0.85 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C19PKMCYP3A4
SCHEMBL17681750 0.83 KIF11 (0.42) CYP1A2CYP2D6CYP2C19PTPN1KIF11
SCHEMBL9043333 0.82 PPARA (0.54) PKMPPARAMAPTPTPN7
SCHEMBL9719820 0.81 PTPN1 (0.49) CYP2D6PTPN1KIF11CASRCYP3A4
SCHEMBL4678770 0.81 PTPN1 (0.49) CYP2D6PTPN1KIF11CASRCYP3A4
SCHEMBL11884018 0.81 KDM4E (0.51) CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL21296669 0.80 KCNN4 (0.42) CYP1A2PTPN1KIF11CASRSLC6A2
SCHEMBL7861321 0.80 PTPN1 (0.47) CYP2D6PTPN1KIF11CASRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111182880-A WNT compositions and processes performed from serum-free culture conditions 安卡萨再生疗法公司 2020-05-19 CN disclosed
CN-110891588-A Peptidomimetic macrocycles and uses thereof 艾瑞朗医疗公司 2020-03-17 CN disclosed
WO-2008156701-A2 HYDROXAMATE INHIBITORS OF INSULIN-DEGRADING ENZYME AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2008-12-24 WO disclosed
US-5849695-A Parathyroid hormone analogues useful for treatment of osteoporosis and disorders of calcium meatabolism in mammals THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-15 US disclosed
EP-0539491-A4 1994-03-23 EP disclosed
EP-0539491-A1 PARATHYROID HORMONE ANALOGUES MODIFIED AT POSITIONS 3, 6 or 9 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-05-05 EP disclosed
WO-1992000753-A1 PARATHYROID HORMONE ANALOGUES MODIFIED AT POSITIONS 3, 6 or 9 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-01-23 WO disclosed