SCHEMBL7005368

SCHEMBL7005368

Cc1ccccc1C(C)OO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 1/20 0.45
ACP3 P15309 1/20 0.40
TSHR P16473 3/20 0.39
ACHE P22303 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CYP3A4 P08684 2/20 0.35
OPRM1 P35372 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC22A2 O15244 1/20 0.35

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
SCHEMBL17226294 1.00 ESR1 (0.52) ESR1ADRA2AADRA2BADRA2CACP3
SCHEMBL8082747 0.81 ESR1 (0.62) ESR1ADRA2AADRA2BADRA2CACP3
SCHEMBL28682070 0.79 ESR1 (0.54) ESR1ADRA2AADRA2BADRA2CACP3
SCHEMBL7615003 0.79 ESR1 (0.54) ESR1ADRA2AADRA2BADRA2CACP3
SCHEMBL15854157 0.79 ESR1 (0.54) ESR1ADRA2AADRA2BADRA2CACP3
SCHEMBL704522 0.77 ESR1 (0.52) ESR1ADRA2AADRA2BADRA2CACP3
SCHEMBL8757282 0.77 ESR1 (0.52) ESR1ADRA2AADRA2BADRA2CACP3
SCHEMBL28794956 0.77 GABRA1 (0.60) TSHRGABRA1GABRB2SLC6A2HTR2C
SCHEMBL1133604 0.77 ESR1 (0.47) ESR1ADRA2AADRA2BADRA2CACP3
SCHEMBL18800848 0.76 ADRB2 (0.46) ACP3TSHRCYP2D6CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340782-A1 ULTRA-QUIET BACKING-PAPER-FREE COLD LAMINATING FILM AND PREPARATION METHOD THEREOF ZHEJIANG FULAI NEW MATERIALS CO., LTD (CN) 2022-10-27 US claimed
WO-2020232327-A1 BREAKER FLUIDS AND METHODS OF USE THEREOF M-I L.L.C. (US) 2020-11-19 WO disclosed
EP-1268367-A2 METHOD FOR OXIDIZING HYDROCARBONS Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2003-01-02 EP disclosed
WO-2001074742-A2 METHOD FOR OXIDIZING HYDROCARBONS DEGUSSA AG (DE) 2001-10-11 WO disclosed
US-5004780-A Polymerization initiator of unsaturated monomers and during agent for unsaturated polyester resin NIPPON OIL AND FATS CO., LTD. (JP) 1991-04-02 US disclosed