SCHEMBL7970481

SCHEMBL7970481

N#Cc1ccc(C(=O)Oc2ccccc2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
PDE4A P27815 1/20 0.61
ADRA1A P35348 1/20 0.61
KDR P35968 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
ALOX15 P16050 2/20 0.58
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 3/20 0.53
RAB9A P51151 2/20 0.49

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
SCHEMBL21884592 0.88 HPGD (0.58) MAPTSMN1; SMN2LMNATP53CYP3A4
SCHEMBL9905991 0.79 NPC1 (0.55) MAPTSMN1; SMN2LMNATP53CYP3A4
SCHEMBL4201347 0.79 MAPT (0.71) MAPTSMN1; SMN2LMNATP53CYP3A4
SCHEMBL5961092 0.78 CA12 (0.61) MAPTSMN1; SMN2LMNAHPGDHSD17B10
SCHEMBL12536696 0.77 F2 (0.49) MAPTSMN1; SMN2LMNATP53CYP3A4
SCHEMBL4962858 0.77 XDH (0.68) MAPTCYP3A4KDM4EXDHSLC22A12
SCHEMBL8772556 0.76 MAPT (0.67) MAPTSMN1; SMN2LMNATP53CYP3A4
Phenyl Aminosalicylate SCHEMBL194250 0.76 MAPT (1.00) MAPTSMN1; SMN2LMNATP53CYP3A4
SCHEMBL7066561 0.76 MEN1 (0.62) MAPTLMNACYP3A4SLC6A2PDE4A
Phenyl Aminosalicylate SCHEMBL29711284 0.76 MAPT (1.00) MAPTSMN1; SMN2LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed