SCHEMBL27848610

SCHEMBL27848610

CCC(C)(C)c1cccc2cc(C(=O)O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.55
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.43
▸ PLA2G2D Q9UNK4 2/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RARB P10826 2/20 0.40
▸ RARG P13631 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PPARG P37231 1/20 0.39

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
SCHEMBL21026689 0.85 MEN1 (0.42) PTPN1NPC1RAB9APOLBCYP2C9
Fluoride SCHEMBL11245620 0.78 PTPN1 (0.58) PTPN1POLBPLA2G2DKMT2AMEN1
SCHEMBL7236434 0.78 TLR8 (0.42) CYP2C9ALDH1A1CA2
SCHEMBL8050752 0.76 POLB (0.46) PTPN1NPC1RAB9APOLBCYP2C9
SCHEMBL25497533 0.74 POLB (0.44) NPC1RAB9APOLBCYP2C9ACE2
SCHEMBL19658061 0.74 POLB (0.57) NPC1RAB9APOLBCYP2C9ACE2
SCHEMBL3805383 0.74 RARB (0.51) NPC1RAB9APOLBCYP2C9ACE2
SCHEMBL21026577 0.74 POLB (0.44) NPC1RAB9APOLBCYP2C9ACE2
SCHEMBL25497550 0.74 ACE2 (0.47) NPC1RAB9APOLBCYP2C9ACE2
SCHEMBL3388481 0.74 PTPN1 (0.66) PTPN1PLA2G2DKMT2AMEN1ALDH1A1

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
CN-101560273-B Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO LTD 2011-03-23 — — CN disclosed
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