SCHEMBL6633262

SCHEMBL6633262

CC[P+](CC)(CC)C(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
LMNA P02545 2/20 0.35
TRPA1 O75762 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
AOC3 Q16853 1/20 0.32
TP53 P04637 1/20 0.32
GRIA4 P48058 1/20 0.32
PTGS2 P35354 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL8390866 0.84 TAAR1 (0.39) TAAR1LMNATRPA1ALDH1A1TSHR
SCHEMBL8394441 0.82 TAAR1 (0.38) TAAR1LMNATRPA1ALDH1A1TSHR
SCHEMBL4391079 0.79 LMNA (0.39) TAAR1LMNATRPA1ALDH1A1TSHR
SCHEMBL6632894 0.79 TAAR1 (0.37) TAAR1LMNAALDH1A1TSHRCYP2D6
SCHEMBL1002546 0.78 TAAR1 (0.40) TAAR1LMNAALDH1A1TSHRCYP2D6
SCHEMBL10402213 0.77 HIF1A (0.34) TAAR1LMNATRPA1ALDH1A1TSHR
SCHEMBL10357730 0.76 TP53 (0.41) TAAR1LMNAALDH1A1TSHRNPSR1
Phenol SCHEMBL6634171 0.76 LMNA (0.37) TAAR1LMNATRPA1TSHRAOC3
SCHEMBL10587125 0.75 ALDH1A1 (0.41) TAAR1LMNAALDH1A1TSHRNPSR1
SCHEMBL31200794 0.75 TAAR1 (0.34) TAAR1LMNAALDH1A1NPSR1MAPT

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-0807657-B1 PROCESS FOR PRODUCING POLYCARBONATE IDEMITSU KOSAN CO (JP) 2004-05-19 EP disclosed
US-5922826-A TRANSESTERIFICATION IN PRESENCE OF A POLYMERIZATION CATALYST CONTAINING AN ORGANONITROGEN COMPOUND AND A QUATERNARY PHOSPHONIUM SALT TO PRODUCE POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 1999-07-13 US disclosed
EP-0807657-A1 PROCESS FOR PRODUCING POLYCARBONATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-11-19 EP disclosed