SCHEMBL15958733

SCHEMBL15958733

CCCCCCCCCCNN=N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
THRB P10828 1/20 0.42
PPARA Q07869 2/20 0.38
GBA1 P04062 4/20 0.37
CASP2 P42575 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL17399200 1.00
SCHEMBL15783012 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL581761 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL30940407 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
Hydrochloric Acid SCHEMBL28195484 0.97 EPHX1 (0.46) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL14375478 0.97
SCHEMBL15203074 0.89
SCHEMBL15782745 0.86
SCHEMBL17399199 0.86
SCHEMBL14756265 0.77

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-8808681-B2 Crosslinked, degradable polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-08-19 US disclosed