SCHEMBL27830612

SCHEMBL27830612

Nc1ccccc1B(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ ORAI1 Q96D31 2/20 0.36
▸ ORAI2 Q96SN7 2/20 0.36
▸ ORAI3 Q9BRQ5 2/20 0.36
▸ TRPV6 Q9H1D0 2/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.36

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
SCHEMBL22036471 0.81 TRPV6 (0.45) ALDH1A1CYP3A4ALOX15SMN1; SMN2ORAI1
SCHEMBL27657136 0.76 CYP3A4 (0.39) ALDH1A1L3MBTL1CYP3A4ALOX15SMN1; SMN2
SCHEMBL2873931 0.76 TRPV6 (0.56) ALDH1A1L3MBTL1CYP3A4ALOX15SMN1; SMN2
SCHEMBL125450 0.71 TRPV6 (0.53) ALDH1A1CYP3A4ALOX15ORAI1ORAI2
SCHEMBL28984685 0.70 ALDH1A1 (0.37) ALDH1A1L3MBTL1ORAI1ORAI2ORAI3
SCHEMBL187782 0.70 TSHR (0.43) ALDH1A1CYP3A4ORAI1ORAI2ORAI3
SCHEMBL1264489 0.70 NFE2L2 (0.39) ALDH1A1CYP3A4ALOX15ORAI1ORAI2
Methylamine SCHEMBL9777145 0.69 ORAI1 (0.45) ALDH1A1CYP3A4ALOX15ORAI1ORAI2
SCHEMBL13215265 0.69 CYP3A4 (0.47) ALDH1A1L3MBTL1CYP3A4ALOX15SMN1; SMN2
SCHEMBL22729228 0.69 TSHR (0.53) ALDH1A1L3MBTL1CYP3A4SMN1; SMN2HSD17B10

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
CN-102666618-B Metal-crosslinked organopolysiloxane thio-block vinyl copolymer and antifouling coating composition comprising same CHUGOKU MARINE PAINTS 2014-11-26 — — CN disclosed
CN-102666618-A Metal-crosslinked organopolysiloxane thio-block vinyl copolymer and antifouling coating composition comprising same CHUGOKU MARINE PAINTS 2012-09-12 — — CN disclosed
CN-1886360-B Novel cycloalkenycarboxylic acid and its uses CHUGOKU MARINE PAINTS 2012-01-25 — — CN disclosed
Send feedback