SCHEMBL19255420

SCHEMBL19255420

CCCCCCCC(C)(CCCC)CN(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
GGPS1 O95749 6/20 0.33
FDPS P14324 9/20 0.32
SMPD1 P17405 2/20 0.31
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL24926234 1.00 PLA2G1B (0.35) PLA2G1BPLA2G2ATSHRTHRBGGPS1
SCHEMBL20803799 0.90 PLA2G1B (0.36) PLA2G1BPLA2G2ATSHRTHRBGGPS1
SCHEMBL25096432 0.79 DNM1 (0.33) TSHRTHRBGGPS1FDPS
SCHEMBL28075093 0.78 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL27977743 0.78 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL20803962 0.78
SCHEMBL18743796 0.77 DNM1 (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL20589570 0.75 TSHR (0.53) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL8685403 0.75 TSHR (0.53) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL8687541 0.75 TSHR (0.53) TSHRTHRBGGPS1FDPSSMPD1

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-9730934-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-08-15 US disclosed