SCHEMBL9735222

SCHEMBL9735222

COCC1(C)Oc2ccc(C(=O)OC)cc2C(OC2CCC(=O)C2)C1(C)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EDNRA P25101 2/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
OPRD1 P41143 1/20 0.30
CREBBP Q92793 1/20 0.30
RARA P10276 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
SCHEMBL9735711 0.88 ALDH1A1 (0.31) MEN1KMT2ATSHRPOLBALDH1A1
SCHEMBL9737038 0.84 AKR1B1 (0.33) SMN1; SMN2EDNRAMAPTLMNAEDNRB
SCHEMBL9735704 0.84 ABCC9 (0.38) MEN1KMT2ALMNA
SCHEMBL9737251 0.83 HSD17B10 (0.34) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9735212 0.80 CA12 (0.34) RARBRARGRAB9ASMN1; SMN2NPC1
SCHEMBL9736521 0.76 AXL (0.32) SMN1; SMN2MEN1KMT2AALOX5MAPT
SCHEMBL9735767 0.75 ALOX5 (0.33) RARBRARGRAB9ASMN1; SMN2ALOX5
SCHEMBL9735313 0.75 ALOX5 (0.32) RARBRARGRAB9ASMN1; SMN2MEN1
SCHEMBL9735900 0.74 OPRD1 (0.34) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9735947 0.74 ABCC9 (0.39) RARBRARGRAB9ASMN1; SMN2NPC1

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