SCHEMBL9735486

SCHEMBL9735486

COCC1(C)Oc2ccc(C(=O)OC)cc2C(n2ccccc2=O)C1(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
IDO1 P14902 1/20 0.33
EDNRA P25101 1/20 0.32
OPRM1 P35372 1/20 0.32
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
PDK2 Q15119 2/20 0.31
IDH1 O75874 1/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 3/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8085342 0.87 ALOX5 (0.39) ALOX5IDO1EDNRAOPRM1RAB9A
SCHEMBL9740635 0.85 IDO1 (0.35) IDO1SMN1; SMN2GAA
SCHEMBL9740284 0.83 ALDH1A1 (0.33) SMN1; SMN2MAPTALDH1A1LMNAMEN1
SCHEMBL9736924 0.83 ABCC9 (0.40) LMNAMEN1KMT2A
SCHEMBL9734831 0.81 ALOX5 (0.37) ALOX5IDO1EDNRAOPRM1RAB9A
SCHEMBL9735947 0.80 ABCC9 (0.39) IDO1RAB9ASMN1; SMN2RARBRARG
SCHEMBL8090564 0.79 MAPT (0.41) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL7269439 0.76 ABCC9 (0.44) ALOX5LMNA
SCHEMBL8088411 0.76 KDM4E (0.33) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8088453 0.75 F10 (0.33) OPRM1SMN1; SMN2ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed