SCHEMBL18944342

SCHEMBL18944342

COC(=O)CCCCc1ccc(C(O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PTGER2 P43116 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PTPRC P08575 2/20 0.36
PTPN13 Q12923 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1495901 0.79 EPHX2 (0.45) HPGDMEN1KMT2ACYP4F2CYP4A11
SCHEMBL18944340 0.77 CYP4F2 (0.41) HPGDMEN1KMT2ACYP4F2CYP4A11
SCHEMBL13948679 0.76 CYP4F2 (0.55) HPGDCYP4F2CYP4A11TSHRALDH1A1
SCHEMBL8935206 0.74 CYP4F2 (0.49) HPGDMEN1KMT2ACYP4F2CYP4A11
SCHEMBL1495869 0.74 ALDH1A1 (0.41) HPGDMEN1KMT2ACYP4F2CYP4A11
SCHEMBL19000269 0.74 NPSR1 (0.43) HPGDCYP4F2CYP4A11TSHRALDH1A1
SCHEMBL18944332 0.73 NPSR1 (0.44) HPGDMEN1KMT2ATSHRALDH1A1
Trifluoroacetic Acid SCHEMBL5552619 0.73 EPHX2 (0.43) HPGDMEN1KMT2ACYP4F2CYP4A11
SCHEMBL4131832 0.72 HPGD (0.46) HPGDMEN1KMT2ACYP4F2CYP4A11
SCHEMBL3247077 0.72 ESR1 (0.35) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed