SCHEMBL18642727

SCHEMBL18642727

Cc1cc(C)c(O)c(-c2ccc(Cl)cc2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ RAPGEF4 Q8WZA2 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ SELL P14151 1/20 0.37
▸ SELP P16109 1/20 0.37

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
SCHEMBL770062 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1CYP3A4ALOX5
SCHEMBL29848460 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1CYP3A4ALOX5
SCHEMBL22500697 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL5166573 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL339112 0.77 HSD17B10 (0.65) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL18922815 0.76 SELL (0.59) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL9489100 0.76 HSD17B10 (0.43) ALDH1A1HSD17B10TSHRCYP3A4ALOX5
SCHEMBL15889076 0.71 ALDH1A1 (0.48) ALDH1A1TDP1ALOX5PTGS1PTGS2
SCHEMBL17126985 0.71 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL172727 0.71 — —

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-9939729-B2 Resist pattern-forming method JSR CORPORATION (JP) 2018-04-10 — — US disclosed
US-20170075224-A1 RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2017-03-16 — — US disclosed
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