SCHEMBL6661939

SCHEMBL6661939

BC(CCCCCCC)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
EBP Q15125 1/20 0.40
GAA P10253 1/20 0.38
SCN5A Q14524 3/20 0.38
SCN9A Q15858 3/20 0.38
DNM1 Q05193 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
PKM P14618 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 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
SCHEMBL28439800 0.84 SIGMAR1 (0.40) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL31376077 0.83 SIGMAR1 (0.42) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL10448023 0.79 ESR1 (0.53) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL7773736 0.79 SIGMAR1 (0.42) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL27676286 0.79 KIF11 (0.57) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL11332829 0.79 SIGMAR1 (0.42) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL8978824 0.79 ESR1 (0.53) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL5868580 0.79 KIF11 (0.57) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL4740369 0.79 ESR1 (0.53) SIGMAR1EBPGAASCN5ASCN9A
SCHEMBL27595906 0.79 KIF11 (0.57) SIGMAR1EBPGAASCN5ASCN9A

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-1086996-B1 Resin for use in an antifouling coating and antifouling coating NIPPON PAINT CO LTD (JP) 2004-07-28 EP disclosed
US-6462102-B1 POLYMER FROM UNSATURATED MONOMERS HAVING SIDE CHAIN GROUPS CONTAINING TRISUBSTITUTED BORANE AMINES AND/OR 2-PYRIDINE-THIOL METAL AMINES; LOW TOXICITY; SUSTAINED RELEASE NIPPON PAINT CO., LTD. (JP) 2002-10-08 US disclosed
EP-1086996-A1 Resin for use in an antifouling coating and antifouling coating Nippon Paint Co., Ltd. (JP) 2001-03-28 EP disclosed