SCHEMBL11759367

SCHEMBL11759367

Cc1cc(Cl)ccc1-c1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
FFAR1 O14842 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
RAB9A P51151 1/20 0.51
HIF1A Q16665 1/20 0.51
USP5 P45974 1/20 0.49
GCGR P47871 2/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
NR4A2 P43354 1/20 0.45
PPARG P37231 1/20 0.44
SRD5A2 P31213 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.44
POLB P06746 1/20 0.43
HSD17B1 P14061 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL11757497 0.89 KMT2A (0.53) KMT2AFFAR1LMNASMN1; SMN2CYP1A2
SCHEMBL11757895 0.85 SRD5A2 (0.61) KMT2AFFAR1LMNASMN1; SMN2CYP1A2
SCHEMBL7862861 0.83 FFAR1 (0.51) KMT2AFFAR1LMNASMN1; SMN2CYP1A2
SCHEMBL3746956 0.82 SRD5A2 (0.64) SMN1; SMN2RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL7857464 0.80 SMN1; SMN2 (0.72) KMT2AFFAR1LMNASMN1; SMN2CYP1A2
SCHEMBL8532994 0.79 SMN1; SMN2 (0.67) KMT2AFFAR1LMNASMN1; SMN2CYP1A2
SCHEMBL11765494 0.79 FFAR1 (0.53) FFAR1SMN1; SMN2GCGRSLC1A3SLC1A2
SCHEMBL11759728 0.79 RAB9A (0.47) KMT2AFFAR1LMNASMN1; SMN2CYP1A2
SCHEMBL8688272 0.79 HTT (0.62) KMT2AFFAR1LMNASMN1; SMN2HIF1A
SCHEMBL392858 0.78 NR4A2 (0.65) KMT2AFFAR1LMNASMN1; SMN2CYP1A2

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
US-4021479-A ANTIPHLOGISTICS AND ANTIPROLIFERATIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US disclosed