SCHEMBL4829324

SCHEMBL4829324

CC[P+](C)(C)C.C[B-](C)(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TRPA1 O75762 2/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
TAAR1 Q96RJ0 4/20 0.33
SLC6A2 P23975 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACE P12821 1/20 0.32

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 0.83 TAAR1 (0.39) LMNATRPA1TSHRTP53TAAR1
SCHEMBL20597141 0.82 ALDH1A1 (0.44) LMNATSHRTP53TAAR1SLC6A4
Lithium Ion SCHEMBL5268857 0.79 ALDH1A1 (0.41) LMNATSHRTP53TAAR1SLC6A4
SCHEMBL309451 0.71 LMNA (0.38) LMNATRPA1TSHRTP53TAAR1
SCHEMBL8394441 0.71 TAAR1 (0.38) LMNATRPA1TSHRTP53TAAR1
Lithium Ion SCHEMBL9003568 0.70 LMNA (0.37) LMNATRPA1TSHRTP53TAAR1
SCHEMBL4541964 0.69 TDP1 (0.42) LMNATRPA1TSHRTAAR1SLC6A2
Biphenyl SCHEMBL11503380 0.69 ALDH1A1 (0.53) LMNATRPA1TSHRTP53TAAR1
SCHEMBL4391079 0.68 LMNA (0.39) LMNATRPA1TSHRTP53TAAR1
Tetramethylammonium Ion SCHEMBL1412797 0.68 LMNA (0.35) LMNATRPA1TSHRTP53TAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390868-B2 Catalyst for polycarbonate production and process for producing polycarbonate NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-06-24 US disclosed
US-20070043199-A1 Catalyst for polycarbonate production and process for producing polycarbonate IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed