SCHEMBL28032827

SCHEMBL28032827

COc1cc(OC)c(Br)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP1A1 P04798 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2E1 P05181 2/20 0.47
▸ CYP2C8 P10632 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP4B1 P13584 2/20 0.47
▸ CYP2B6 P20813 2/20 0.47
▸ CYP3A5 P20815 2/20 0.47
▸ CYP2A7 P20853 2/20 0.47

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
SCHEMBL27902994 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL1203850 0.76 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP1A1
SCHEMBL835688 0.76 KDM4E (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL5632975 0.76 CYP1A1 (0.79) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL3650356 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2TP53
SCHEMBL29572032 0.76 KDM4E (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
Phosphine SCHEMBL20815551 0.75 HK2 (0.44) KDM4EMAPTSMN1; SMN2MAOBLMNA
SCHEMBL12341703 0.75 SQOR (0.55) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL17924581 0.75 SMN1; SMN2 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL28972371 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4

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
CN-103848966-B A kind of containing thienothiophene-cyclopentano two thiophen polymer and preparation and application thereof Haiyangwang Lighting Technology Co., Ltd. (CN) 2016-01-27 — — CN disclosed
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