SCHEMBL531355

SCHEMBL531355

CCOc1ccc(OCC)c(N(c2ccc3c(c2)CCC3)S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36

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
SCHEMBL434864 0.75 POLB (0.59) POLBTDP1TSHRNPC1RAB9A
SCHEMBL6167829 0.72 ALOX15 (0.59) POLBTDP1TSHRNPC1RAB9A
SCHEMBL22681634 0.71 POLB (0.52) POLBTDP1TSHRTRPM8ALOX15
SCHEMBL529695 0.71 MAPT (0.50) POLBTSHRNPC1RAB9AHSD17B10
SCHEMBL10071512 0.69 NQO1 (0.54) POLBTDP1TSHRNPC1ALOX15
SCHEMBL22682035 0.68 POLB (0.49) POLBTDP1TSHRTRPM8ALOX15
SCHEMBL529873 0.68 LMNA (0.48) POLBTDP1NPC1RAB9AALDH1A1
SCHEMBL22681623 0.68 POLB (0.43) POLBTDP1TSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL3894376 0.64 ADRA2A (0.62) POLBTDP1
SCHEMBL23222346 0.64 SMN1; SMN2 (0.56) POLBTSHRNPC1RAB9AALOX15

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed