SCHEMBL8895618

SCHEMBL8895618

O=C(CCc1cc2cc(Cl)ccc2o1)CCc1cc2cc(Cl)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
ADAM17 P78536 1/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 4/20 0.49
MAOB P27338 3/20 0.49
GPR35 Q9HC97 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP19A1 P11511 1/20 0.46
FFAR4 Q5NUL3 2/20 0.44
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
AKR1B1 P15121 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
SCHEMBL11194046 0.79 AKR1B1 (0.55) MMP2MMP9ADAM17TSHRKDM4E
SCHEMBL10368235 0.78 LOXL2 (0.55) MMP2MMP9ADAM17TSHRKDM4E
SCHEMBL11190838 0.78 CYP19A1 (0.49) MMP2MMP9ADAM17TSHRKDM4E
SCHEMBL8717811 0.78 CYP19A1 (0.49) MMP2MMP9ADAM17TSHRKDM4E
SCHEMBL10422458 0.78 IDO1 (0.53) MMP2MMP9ADAM17TSHRKDM4E
SCHEMBL29988390 0.78 IDO1 (0.53) MMP2MMP9ADAM17TSHRKDM4E
SCHEMBL8895635 0.77 MAOB (0.47) MMP2MMP9ADAM17TSHRKDM4E
Hydrochloric Acid SCHEMBL22395344 0.77 CYP19A1 (0.48) MMP2MMP9ADAM17TSHRKDM4E
SCHEMBL17996589 0.76 MAOB (0.51) MMP2MMP9ADAM17TSHRKDM4E
SCHEMBL17996570 0.76 KDM4E (0.51) MMP2MMP9ADAM17TSHRKDM4E

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
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed
US-5348976-A Amide derivatives as fungicides safe for plants KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-09-20 US disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed