SCHEMBL9003470

SCHEMBL9003470

CCC(C)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)C(C(=O)OC)=C(C[S+](c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 2/20 0.33
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.30
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 1/20 0.30

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
SCHEMBL9003719 0.84 TSHR (0.43) ESRRBALDH1A1PKMKMT2ATSHR
SCHEMBL9003389 0.78
SCHEMBL9003526 0.73 ALDH1A1 (0.38) ALDH1A1RAB9APOLBNPC1LMNA
SCHEMBL8757654 0.71 MAPT (0.38) ALDH1A1RAB9AKMT2ATSHRNPC1
Perchlorate SCHEMBL9003577 0.70 ESRRG (0.42) ALDH1A1RAB9AKMT2APOLBNPC1
SCHEMBL27941245 0.70 TSHR (0.48) ESRRBKMT2ATSHRMEN1SMN1; SMN2
SCHEMBL309451 0.69 LMNA (0.38) KMT2ATSHRMEN1LMNA
SCHEMBL27941257 0.69 ESRRB (0.47) ESRRBALDH1A1KMT2ATSHRPOLB
SCHEMBL8757927 0.69 ALDH1A1 (0.36) ALDH1A1RAB9AKMT2ATSHRPOLB
Lithium Ion SCHEMBL9003568 0.68 LMNA (0.37) KMT2ATSHRMEN1LMNA

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed