SCHEMBL4776336

SCHEMBL4776336

C=C(C)c1ccc(C(C)C)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SLC6A2 P23975 2/20 0.53
HTR2B P41595 2/20 0.53
TRPA1 O75762 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA1A P35348 1/20 0.53
GABRA1 P14867 7/20 0.43
GABRB2 P47870 4/20 0.43
KDM4E B2RXH2 1/20 0.37
DBH P09172 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
GABRB1 P18505 5/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL7912415 0.84 HSP90AA1 (0.51) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL5143785 0.80 ACE2 (0.38) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL11577649 0.80 LMNA (0.53) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL20757271 0.78 TDP1 (0.37) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL7909292 0.76 CA12 (0.50) TRPA1KDM4EDBHGAARECQL
SCHEMBL1408588 0.76 ACE2 (0.38) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL5366250 0.76 ACE2 (0.57) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL19417841 0.76 RAB9A (0.41) GAACA1CA2CYP1A2CYP3A4
SCHEMBL27788696 0.74 LMNA (0.52) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL11766166 0.72 CA1 (0.56) LMNASLC6A2HTR2BGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024258458-A1 HALOGENATED OLEFIN-CONTAINING POLYURETHANE FOAM-FORMING COMPOSITIONS, RELATED FOAMS AND METHODS FOR THEIR PRODUCTION COVESTRO LLC (US) 2024-12-19 WO claimed
US-4182803-A WITH REACTIVE PHENOLIC GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-01-08 US claimed
US-4039630-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US claimed
US-3993714-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 US claimed
WO-2024258458-A1 HALOGENATED OLEFIN-CONTAINING POLYURETHANE FOAM-FORMING COMPOSITIONS, RELATED FOAMS AND METHODS FOR THEIR PRODUCTION COVESTRO LLC (US) 2024-12-19 WO disclosed
EP-1675885-B1 UNSATURATED MACROMERS FOR PREPARING PREFORMED STABILIZERS AND POLYMER POLYOLS BAYER MATERIALSCIENCE LLC (US) 2008-03-05 EP disclosed
EP-1675885-A2 UNSATURATED MACROMERS FOR PREPARING PREFORMED STABILIZERS AND POLYMER POLYOLS Bayer MaterialScience LLC (US) 2006-07-05 EP disclosed
WO-2005042616-A2 UNSATURATED MACROMERS FOR PREPARING PREFORMED STABILIZERS AND POLYMER POLYOLS BAYER MATERIALSCIENCE LLC (US) 2005-05-12 WO disclosed
US-20050085613-A1 Novel unsaturated macromers for preformed stabilizers and polymer polyols BAYER MATERIALSCIENCE LLC 2005-04-21 US disclosed
US-4182803-A WITH REACTIVE PHENOLIC GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-01-08 US disclosed
US-4039630-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-3993714-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 US disclosed