SCHEMBL9735212

SCHEMBL9735212

COCC1(C)Oc2ccc(C(=O)OC)cc2C(OC2=CC(=O)CC2)C1(C)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
ALOX5 P09917 1/20 0.32
MAPT P10636 3/20 0.32
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 2/20 0.31
HSD17B10 Q99714 1/20 0.31
RARA P10276 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL9443581 0.88 CA12 (0.38) CA12CA9RARBRARGRAB9A
SCHEMBL9735693 0.83 ABCC9 (0.39) LMNAMEN1KMT2A
SCHEMBL9443525 0.82 ALDH1A1 (0.38) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL9737241 0.82 CA12 (0.36) CA12CA9RAB9ASMN1; SMN2NPC1
SCHEMBL9735222 0.80 RARB (0.33) CA12CA9RARBRARGRAB9A
SCHEMBL9443653 0.80 TDP1 (0.35) RARBRARGRAB9ASMN1; SMN2NPC1
SCHEMBL9735767 0.80 ALOX5 (0.33) RARBRARGRAB9ASMN1; SMN2ALOX5
SCHEMBL9443605 0.79 HTR1A (0.36) SMN1; SMN2TSHR
SCHEMBL9735313 0.79 ALOX5 (0.32) RARBRARGRAB9ASMN1; SMN2ALOX5
SCHEMBL9736521 0.78 AXL (0.32) SMN1; SMN2ALOX5MAPTLMNAPOLB

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