SCHEMBL3526348

SCHEMBL3526348

C=CCc1ccc(CBr)cc1.C=CCc1ccc(CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ XDH P47989 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ GABRA1 P14867 3/20 0.38
▸ GABRB2 P47870 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH2 P05091 1/20 0.38

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
SCHEMBL1653180 0.89 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL1653597 0.89 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL9618633 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL8082725 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL1049732 0.82 TRPA1 (0.50) ALDH1A1TSHRTRPA1CA1CA2
Allylbenzene SCHEMBL27688145 0.78 MAOB (0.48) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL9501888 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL173301 0.76 ALDH1A1 (0.64) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
Bromide SCHEMBL8645583 0.74 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
Phosphine SCHEMBL28908227 0.74 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53

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
EP-2157032-B1 TRANSPORT CASE FOR ELECTRONIC COMPONENT SAKASE CHEMICAL CO LTD (JP) 2012-07-25 — — EP disclosed
EP-2157032-A1 TRANSPORT CASE FOR ELECTRONIC COMPONENT Sakase Chemical Co., Ltd. (JP) 2010-02-24 — — EP disclosed
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