SCHEMBL9876094

SCHEMBL9876094

CCc1ccc2ccccc(OC)c1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HTT P42858 2/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
DUSP3 P51452 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SYK P43405 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
SCHEMBL7176770 0.82 FABP3 (0.38) CA1CA2CA7CA9HTT
SCHEMBL9876117 0.80 ALOX5 (0.53) ELANE
SCHEMBL9875656 0.80 ALOX5 (0.53) ELANE
SCHEMBL9875539 0.80 ALOX5 (0.53) ELANE
SCHEMBL19172033 0.77 MAPT (0.42) HTTKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL27759679 0.77 MAPT (0.48) HTTKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL7319874 0.76 ELANE (0.37) HTTFABP3FABP4FABP5MEN1
SCHEMBL17859653 0.76 HPGD (0.49) HTTKDM4EMAPTALDH1A1KMT2A
SCHEMBL355567 0.74 CA1 (0.57) CA12CA1CA2CA4CA7
SCHEMBL17939 0.74 IDO1 (0.59) CA12CA1CA2CA4CA7

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
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed