SCHEMBL11313558

SCHEMBL11313558

CCCOCCC.O=C(O)CCC(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.43
▸ CES1 P23141 4/20 0.42
▸ SRC P12931 1/20 0.39
▸ CES2 O00748 3/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ CYP2C19 P33261 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ SCN1A P35498 2/20 0.36
▸ SCN2A Q99250 2/20 0.36
▸ SCN3A Q9NY46 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL11310480 0.92 CES1 (0.40) LMNACES1CES2TSHRALDH1A1
SCHEMBL11314618 0.90 PLA2G4B (0.43) LMNACES1CES2TSHRNPSR1
SCHEMBL11320202 0.90 PLA2G4B (0.43) LMNACES1CES2TSHRNPSR1
SCHEMBL11307176 0.90 PLA2G4B (0.43) LMNACES1CES2TSHRNPSR1
Ether SCHEMBL11308403 0.89 CES1 (0.44) LMNACES1SRCCES2NR4A2
SCHEMBL11522093 0.88 AKT1 (0.43) LMNACES1SRCCES2CYP2C19
Methoxymethane SCHEMBL5530887 0.87 CES1 (0.51) LMNACES1SRCNR4A2CYP2C19
SCHEMBL11533981 0.87 NR4A2 (0.47) LMNACES1SRCNR4A2CYP2C19
SCHEMBL11308358 0.83 LMNA (0.40) LMNACES1SRCCYP2C19CYP3A4
SCHEMBL11308424 0.82 CES1 (0.41) CES1SRCNR4A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4253918-A FOR PAPER SUBSTRATES PFIZER INC. (US) 1981-03-03 — — US disclosed
US-4179478-A Process for the production of binders BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 — — US disclosed
US-4162274-A Crosslinkable urethane resins containing vinyl and carboxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 — — US disclosed
US-4081492-A POLYEPOXIDE BINDERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 — — US disclosed
US-4049745-A REACTION PRODUCT OF POLYEPOXIDE AND AN ACRYLIC ACID BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 — — US disclosed
US-4014771-A POLYEPOXIDES, BINDERS FOR PRINTING INKS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 — — US disclosed
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