SCHEMBL11295986

SCHEMBL11295986

CC1CC(c2ccccc2Cl)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.50
HTR2C P28335 5/20 0.50
HTR2B P41595 5/20 0.50
HRH3 Q9Y5N1 4/20 0.50
TP53 P04637 2/20 0.39
RECQL P46063 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 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
SCHEMBL11292597 0.83 HTR2C (0.46) HTR2AHTR2CHTR2BHRH3TP53
SCHEMBL27633029 0.78 HTR2A (0.47) HTR2AHTR2CHTR2BHRH3TP53
SCHEMBL11291691 0.77 HTR2A (0.53) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL26822591 0.77 SLC6A2 (0.66) TP53SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL27792303 0.76 HTR2A (0.41) HTR2AHTR2CHTR2BRECQLSLC6A2
SCHEMBL11294214 0.76 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL7609588 0.75 SIGMAR1 (0.47) HTR2AHTR2CHTR2BHRH3
SCHEMBL7609590 0.75 SIGMAR1 (0.47) HTR2AHTR2CHTR2BHRH3
SCHEMBL7599981 0.75 SIGMAR1 (0.47) HTR2AHTR2CHTR2BHRH3
SCHEMBL7599978 0.75 SIGMAR1 (0.47) HTR2AHTR2CHTR2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004591-B1 SHELL CATALYST, PROCESS FOR ITS PREPARATION AND ITS USE FOR THE PREPARATION OF ANTHRAQUINONES BASF Aktiengesellschaft (DE) 1982-03-31 EP disclosed
US-4255285-A FOR THE CATALYTIC OXIDATION OF A 1-PHENYLINDAN TO AN ANTHRAQUINONE; ATOMIZING AN AQUEOUS VANADIUM COMPOUND TO COAT AND ROAST MOVING CARRIER PARTICLES BASF AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed
EP-0004591-A1 Shell catalyst, process for its preparation and its use for the preparation of anthraquinones BASF Aktiengesellschaft (DE) 1979-10-17 EP disclosed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US disclosed