SCHEMBL9575627

SCHEMBL9575627

C=CCOc1ccc(CC(C)(O)C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CHRNB2 P17787 3/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA4 P43681 3/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 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
SCHEMBL9575718 0.88 ALDH1A1 (0.39) MAPTPOLBALDH1A1USP2CACNA1B
SCHEMBL3975354 0.84 THRA (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4456470 0.80 ALDH1A1 (0.50) MAPTPOLBALDH1A1USP2CACNA1B
SCHEMBL788296 0.80 SMN1; SMN2 (0.50) MAPTPOLBALDH1A1USP2SMN1; SMN2
SCHEMBL19644362 0.80 SMN1; SMN2 (0.50) MAPTPOLBALDH1A1USP2SMN1; SMN2
SCHEMBL9614864 0.79 SMN1; SMN2 (0.48) MAPTALDH1A1SMN1; SMN2CYP2D6HPGD
SCHEMBL9819123 0.79 THRB (0.56) MAPTPOLBALDH1A1KMT2A
SCHEMBL6049329 0.78 ALDH1A1 (0.46) MAPTPOLBALDH1A1USP2CACNA1B
SCHEMBL7948936 0.78 CASR (0.39) MAPTPOLBALDH1A1ADRB2ADRB1
SCHEMBL9174795 0.78 THRB (0.56) ALDH1A1SMN1; SMN2TP53GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281941-B1 Coreactive photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP claimed