SCHEMBL17424270

SCHEMBL17424270

CCC(C)c1ccc(OCc2cccc3c(S(=O)(=O)O)cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ADAMTS4 O75173 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ FFAR1 O14842 5/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AKR1B1 P15121 1/20 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
SCHEMBL11922879 0.88 ALDH1A1 (0.49) ALDH1A1TSHRNPC1RAB9AHSP90AA1
SCHEMBL11922890 0.80 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RAB9AHSP90AA1
SCHEMBL11922884 0.79 ALDH1A1 (0.49) ALDH1A1TSHRNPC1RAB9AHSP90AA1
SCHEMBL11922904 0.78 PARP10 (0.53) ALDH1A1TSHRNPC1RAB9AADAMTS4
SCHEMBL14461741 0.78 TP53 (0.57) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL14461744 0.77 ALDH1A1 (0.47) ALDH1A1TSHRNPC1RAB9AHSP90AA1
SCHEMBL11922950 0.77 ALDH1A1 (0.43) ALDH1A1TSHRNPC1RAB9AHSP90AA1
SCHEMBL14461880 0.76 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9AL3MBTL1
SCHEMBL11922942 0.75 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RAB9AHSP90AA1
SCHEMBL11922917 0.74 CASP1 (0.41) ALDH1A1TSHRNPC1RAB9ACYP1A2

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-9235116-B2 Actinic-ray- or radiation sensitive resin composition, actinic-ray- or radiation-sensitive film therefrom and method of forming pattern FUJIFILM CORPORATION (JP) 2016-01-12 — — US disclosed
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