SCHEMBL7971319

SCHEMBL7971319

CCC1(C(=O)O)CC(O)(c2ccco2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
CHRM1 P11229 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTPN1 P18031 2/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
RECQL P46063 2/20 0.31
CYP2C19 P33261 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL7970858 0.70 ADORA2B (0.42) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL3951666 0.68
SCHEMBL7414855 0.66 AKR1C1 (0.42) OPRM1OPRD1OPRK1OPRL1HCAR2
SCHEMBL21293507 0.65 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1HCAR2
SCHEMBL28628716 0.65 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1HCAR2
SCHEMBL28366218 0.64 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1HCAR2
SCHEMBL10993449 0.63 KDM4E (0.40) OPRM1OPRD1OPRK1OPRL1HCAR2
SCHEMBL857043 0.63 MME (0.46) NPSR1
SCHEMBL31034835 0.63 MME (0.46) NPSR1
SCHEMBL6421403 0.62 TSHR (0.46) ALDH1A1POLBHSD17B10TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed