SCHEMBL9260939

SCHEMBL9260939

CSc1ccc(Oc2ccc(CC(C)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
SRD5A2 P31213 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MMP1 P03956 1/20 0.40
MMP14 P50281 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 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
SCHEMBL2398565 0.89 POLB (0.48) POLBALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL10774498 0.87 POLB (0.66) POLBALDH1A1SMN1; SMN2SRD5A2MAPT
SCHEMBL11078723 0.86 SRD5A2 (0.57) POLBALDH1A1SRD5A2HPGDLMNA
SCHEMBL9262585 0.80 HTT (0.59) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL850542 0.80 SRD5A2 (0.62) POLBALDH1A1SRD5A2
SCHEMBL9269526 0.79 POLB (0.56) POLBSMN1; SMN2SRD5A2MAPTHPGD
SCHEMBL2367221 0.79 POLB (0.56) POLBALDH1A1MAPTRAB9AKDM4E
SCHEMBL10187426 0.79 POLB (0.45) POLBALDH1A1SMN1; SMN2SRD5A2MAPT
SCHEMBL9474042 0.78 LTA4H (0.59) ALDH1A1MMP14GAAHTTHTR2A
SCHEMBL16866569 0.77 POLB (0.54) POLBALDH1A1SMN1; SMN2SRD5A2MAPT

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-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 EP disclosed