SCHEMBL8940388

SCHEMBL8940388

CC(=O)c1ccc(Cl)cc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD17B3 P37058 1/20 0.41

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
SCHEMBL18057577 0.89 PTGDR2 (0.50) SMN1; SMN2MAPTSLC6A4SLC6A3ALDH1A1
SCHEMBL14439661 0.88 ALDH1A1 (0.48) P2RX1SMN1; SMN2MAPTRAB9AMAOB
SCHEMBL27448009 0.87 MAOA (0.47) SMN1; SMN2MAPTRAB9ASLC6A4SLC6A3
SCHEMBL27365815 0.87 SMN1; SMN2 (0.49) P2RX1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL10886306 0.86 SLC6A4 (0.50) P2RX1SMN1; SMN2MAPTRAB9ASLC6A4
SCHEMBL5631648 0.83 MAPT (0.55) SMN1; SMN2MAPTRAB9ASLC6A4SLC6A3
SCHEMBL809394 0.82 ALDH1A1 (0.59) SMN1; SMN2MAPTRAB9AALDH1A1TP53
SCHEMBL15276750 0.82 HSD17B3 (0.44) SMN1; SMN2MAPTRAB9ASLC6A4SLC6A3
SCHEMBL20117002 0.81 ALDH1A1 (0.50) P2RX1SMN1; SMN2MAPTMAOBMAOA
SCHEMBL2558658 0.81 AKR1C3 (0.51) SMN1; SMN2MAPTRAB9AALDH1A1TP53

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
JP-8048647-A None JP disclosed
JP-H0848647-A PRODUCTION OF INDANONE DERIVATIVE SUMITOMO CHEM CO LTD 1996-02-20 JP disclosed
US-4168315-A ANTICOAGULANTS THE UPJOHN COMPANY (US) 1979-09-18 US disclosed