SCHEMBL5841760

SCHEMBL5841760

Cc1ccc(CC(=O)Cc2ccc(C)cc2O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
TRPA1 O75762 2/20 0.48
CSNK2A1 P68400 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MPL P40238 1/20 0.41
AMY1A P0DUB6 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL5842412 0.88 TDP1 (0.51) SRCTDP1LMNAGAAKCNMA1
SCHEMBL29481933 0.88 SRC (0.62) SRCTRPA1CSNK2A1MAPTALDH1A1
SCHEMBL3228305 0.88 SRC (0.62) SRCTRPA1CSNK2A1MAPTALDH1A1
SCHEMBL9003695 0.86 SRC (0.49) SRCTRPA1CSNK2A1NPC1RAB9A
Ethylenediamine SCHEMBL14844383 0.81 SRC (0.56) SRCTRPA1CSNK2A1MAPTALDH1A1
SCHEMBL6583906 0.81 SRC (0.44) SRCTRPA1CSNK2A1NPC1RAB9A
SCHEMBL14729157 0.81 NPC1 (0.46) SRCNPC1RAB9AALDH1A1TP53
SCHEMBL1006287 0.80 TRPA1 (0.54) TRPA1CSNK2A1NPC1RAB9AMAPT
SCHEMBL31191797 0.80 TRPA1 (0.54) TRPA1CSNK2A1NPC1RAB9AMAPT
SCHEMBL27696939 0.80 POLB (0.47) TRPA1POLB

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-6984716-B2 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2006-01-10 US disclosed
US-20040077825-A1 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 US disclosed