SCHEMBL8829563

SCHEMBL8829563

CC(C)(C)c1ccc(S(c2ccccc2)(c2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.46
ALDH1A1 P00352 5/20 0.44
HSD17B3 P37058 1/20 0.42
UQCRB P14927 1/20 0.42
HSD17B2 P37059 1/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 1/20 0.38
RORA P35398 1/20 0.37
MAPT P10636 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL2469177 0.92 ALDH1A1 (0.50) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL26792486 0.83 ALDH1A1 (0.52) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL4389083 0.82 ALDH1A1 (0.41) HSD11B1ALDH1A1CA1CA2TSHR
SCHEMBL23045338 0.79 GAA (0.42) ALDH1A1KDM4ECA1CA2TSHR
SCHEMBL17049628 0.79 ALDH1A1 (0.50) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL19227923 0.79 ALDH1A1 (0.50) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL13871821 0.77 ALDH1A1 (0.41) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL16543447 0.77 ALDH1A1 (0.48) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL18636110 0.77 ALDH1A1 (0.48) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL387181 0.75 HSD11B1 (0.50) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760894-A1 PHOTO-CURABLE COMPOSITION AND PATTERNING METHOD USING THE SAME Canon Kabushiki Kaisha (JP) 2014-08-06 EP disclosed
WO-2013069511-A1 PHOTO-CURABLE COMPOSITION AND PATTERNING METHOD USING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-05-16 WO disclosed
US-5700625-A Negative-working photoresist composition TOKYO OHKA KOGYO CO., LTD. (JP) 1997-12-23 US disclosed