SCHEMBL9499181

SCHEMBL9499181

Cc1cc(O)c(C)c(C(CCCCCCC(c2cc(C)cc(O)c2C)c2cc(C)cc(O)c2C)c2cc(C)cc(O)c2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
SELE P16581 1/20 0.38
LMNA P02545 2/20 0.34
CHRM1 P11229 2/20 0.34
ADRA1A P35348 2/20 0.34
TRPA1 O75762 2/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2B P41595 1/20 0.34
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL10610394 0.80 ACHE (0.43) ACHESELLSELPSELELMNA
SCHEMBL4418418 0.73 CYP2C19 (0.41) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL18357201 0.73 ACHE (0.59) ACHESELLSELPSELELMNA
SCHEMBL7020412 0.73 ACHE (0.59) ACHESELLSELPSELELMNA
SCHEMBL11234390 0.72 ESR1 (0.39) LMNATP53CYP2D6CYP2C9ALOX15
SCHEMBL14493473 0.72 ESR1 (0.39) LMNATP53CYP2D6CYP2C9ALOX15
SCHEMBL11451555 0.72 ESR1 (0.39) LMNATP53CYP2D6CYP2C9ALOX15
SCHEMBL10479352 0.72 CHRM2 (0.47) LMNACHRM1ADRA1ATRPA1TP53
SCHEMBL9437957 0.72 CHRM2 (0.47) LMNACHRM1ADRA1ATRPA1TP53
SCHEMBL10454719 0.71 ALDH1A1 (0.42) ACHESELLSELPSELELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533202-A1 Use of capped surfactants for production of rigid polyurethane foams blown with hydrochlorofluorocarbons UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-24 EP disclosed
EP-0084966-B1 AQUEOUS COMPOSITIONS CONTAINING OVERBASED MATERIALS The Lubrizol Corporation (US) 1989-11-08 EP disclosed
EP-0099375-B1 PROCESS FOR TREATING USED MOTOR OIL AND SYNTHETIC CRUDE OIL NORMAN, George R. (US) 1987-09-02 EP disclosed
US-4468339-A AND SOLUBILIZER WHICH IS REACTION OF CARBOXYLIC ACID ACYLATING AGENT WITH HYDROCARBON SUBSTITMENT AND HYDROXYAMINE THE LUBRIZOL CORPORATION (US) 1984-08-28 US disclosed
EP-0099375-A4 PROCESS FOR TREATING USED MOTOR OIL AND SYNTHETIC CRUDE OIL. NORMAN GEORGE R 1984-06-13 EP disclosed
US-4432865-A REACTING WITH MINERAL ACID OR POLYHYDROXY COMPOUND, THEN SEPARATION NORMAN GEORGE R 1984-02-21 US disclosed
US-4431524-A DEMETALLIZATION BY ADDING A MINERAL ACID AND POLYHYDROXY COMPOUND SUCH AS CELLULOSE FIBERS NORMAN GEORGE R 1984-02-14 US disclosed
EP-0099375-A1 PROCESS FOR TREATING USED MOTOR OIL AND SYNTHETIC CRUDE OIL. NORMAN GEORGE R 1984-02-01 EP disclosed
WO-1983002623-A1 PROCESS FOR TREATING USED MOTOR OIL AND SYNTHETIC CRUDE OIL NORMAN, GEORGE, R. 1983-08-04 WO disclosed
EP-0084966-A2 Aqueous compositions containing overbased materials The Lubrizol Corporation (US) 1983-08-03 EP disclosed
US-4382128-A Polyolefin grafted with polycarboxylic acid, ester or anhydride and modified with polyhydroxy compound STANDARD OIL COMPANY (US) 1983-05-03 US disclosed
US-4258137-A INCORPORATING AN EPOXY RESIN AND CURING AGENT TO ATTAIN RIGIDITY W. R. GRACE & CO. (US) 1981-03-24 US disclosed
US-4250005-A Radiation cross-linked polyurethane foams SCOTT PAPER COMPANY (US) 1981-02-10 US disclosed
US-4144027-A SHRINKPROOFING KERATIN-CONTAINING FABRICS BY REACTION WITH A POLYETHER POLYOL AND A DIISOCYANATE MILLIKEN RESEARCH CORPORATION (US) 1979-03-13 US disclosed
US-4046744-A Thermosetting coatings based on ketoxime-blocked isocyanates and oxazolidines ROHM AND HAAS COMPANY (US) 1977-09-06 US disclosed