SCHEMBL28210780

SCHEMBL28210780

CCc1ccc(N(N)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
ALOX5 P09917 2/20 0.40
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1C3 P42330 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38
RARB P10826 1/20 0.38
ADRB3 P13945 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
NR1I3 Q14994 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
CXCL8 P10145 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL24245862 0.86 TSHR (0.42) EPHX1ALOX5PTGS1PTGS2LMNA
Hydrochloric Acid SCHEMBL11271956 0.83 TAAR1 (0.46) LMNACYP2C9TSHRTAAR1CYP2A6
SCHEMBL1178159 0.83 PTGS1 (0.48) EPHX1ALOX5PTGS1PTGS2LMNA
SCHEMBL22404374 0.79 PTGS1 (0.45) EPHX1ALOX5PTGS1PTGS2LMNA
SCHEMBL28210267 0.78 TAAR1 (0.46) TAAR1CYP2A6
SCHEMBL15706795 0.77 MEN1 (0.47) EPHX1ALOX5PTGS1PTGS2LMNA
SCHEMBL17173865 0.74 ALDH1A1 (0.50) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL1131597 0.73 PTGS1 (0.56) EPHX1ALOX5PTGS1PTGS2LMNA
SCHEMBL25934769 0.73 PTGS1 (0.44) EPHX1ALOX5PTGS1PTGS2LMNA
SCHEMBL8244501 0.73 ALDH1A1 (0.58) ALOX5PTGS1PTGS2LMNACYP2C9

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
CN-105985464-B Solid catalytic component for olefin polymerization and catalyst thereof 中国石油天然气股份有限公司 2018-04-03 CN disclosed