SCHEMBL9218600

SCHEMBL9218600

CCCc1ccc(OOc2ccc(CCC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TAAR1 Q96RJ0 2/20 0.48
LPL P06858 1/20 0.48
LIPG Q9Y5X9 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CA2 P00918 1/20 0.45
MAOB P27338 2/20 0.43
PLA2G1B P04054 1/20 0.43
KMT2A Q03164 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
RAB9A P51151 1/20 0.42
MGLL Q99685 1/20 0.42
PLK1 P53350 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL2202805 0.84 THRB (0.52) THRBLPLLIPGALDH1A1CA2
SCHEMBL245167 0.83 HTR2A (0.63) THRBLPLLIPGALDH1A1CA2
SCHEMBL27915367 0.83 TAAR1 (0.46) TAAR1ALDH1A1HTR2A
SCHEMBL142480 0.83 LPL (0.62) THRBTAAR1LPLLIPGALDH1A1
SCHEMBL91277 0.82 TAAR1 (0.64) TAAR1CA2MAOB
SCHEMBL7455850 0.81 HTR2A (0.67) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL537941 0.81 HTR2A (0.67) THRBLPLLIPGALDH1A1KMT2A
Ethylamine SCHEMBL9152431 0.81 TAAR1 (0.69) TAAR1CA2MAOB
SCHEMBL9079763 0.81 HTR2A (0.67) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL2096437 0.80 THRB (0.53) THRBTAAR1LPLLIPGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7150027-A None JP disclosed
JP-7150040-A None JP disclosed
JP-H07150027-A POLYAMIDEIMIDE COMPOSITION MITSUBISHI GAS CHEM CO INC 1995-06-13 JP disclosed
JP-H07150040-A RESIN COMPOSITION MITSUBISHI GAS CHEM CO INC 1995-06-13 JP disclosed
EP-0348906-B1 HEAT-RESISTANT RESIN COMPOSITION SHOWA DENKO KABUSHIKI KAISHA (JP) 1992-10-07 EP disclosed
US-4994515-A Resin of styrene and unsaturated imide, high impact thermoplastic, bromine-containing reaction product, silicon resin or compound SHOWA DENKO KABUSHIKI KAISHA (JP) 1991-02-19 US disclosed
EP-0348906-A1 Heat-resistant resin composition SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-01-03 EP disclosed
EP-0090277-B1 PROCESS FOR THE PREPARATION OF 2,2-DICYCLOHEXENYL PROPANE BAYER AG (DE) 1984-10-24 EP disclosed
US-4436943-A Process for the preparation of 2,2-dicyclohexenylpropane BAYER AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed
EP-0090277-A1 Process for the preparation of 2,2-dicyclohexenyl propane BAYER AG (DE) 1983-10-05 EP disclosed
US-4211815-A ORGANOHYDROGENPOLYSILOXANE, OXIDIZED POLYETHYLENE CIBA-GEIGY CORPORATION (US) 1980-07-08 US disclosed
US-4024109-A Process for preparing cured epoxide polymers DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3973904-A PHENOLIC RESINS, SULFONIC ACIDS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3933713-A Method for preparing aromatic polyesters SOKOLOV LEV BORISOVICH 1976-01-20 US disclosed