SCHEMBL7791270

SCHEMBL7791270

CCCCOC(OCCCC)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
DNM1 Q05193 1/20 0.38
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.32
ATM Q13315 1/20 0.31
OPRM1 P35372 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL7791336 0.90 DNM1 (0.50) DNM1TSHR
SCHEMBL8843029 0.90 DNM1 (0.50) DNM1TSHR
SCHEMBL23040692 0.85 TSHR (0.44) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL9393419 0.85 ADRB2 (0.45) ADRB2ADRB1ADRB3DNM1CYP3A4
SCHEMBL13942182 0.82 HSD17B10 (0.36) LMNA
SCHEMBL10956724 0.79 CYP3A4 (0.38) ADRB2ADRB1ADRB3DNM1CYP3A4
SCHEMBL27993668 0.79 ADRB2 (0.36) ADRB2ADRB1ADRB3DNM1CYP3A4
SCHEMBL19668160 0.79 CYP3A4 (0.36) ADRB2ADRB1ADRB3DNM1CYP3A4
SCHEMBL8400586 0.78 ADRB2 (0.39) ADRB2ADRB1ADRB3DNM1CYP3A4
SCHEMBL115527 0.77 LMNA (0.47) ADRB2ADRB1ADRB3DNM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537687-B1 Biodegradable fiber treating agent HOECHST AG (DE) 1997-03-12 EP claimed
EP-3625199-B1 HYDROFORMYLATION METHOD SERVING FOR THE LARGE-SCALE PRODUCTION OF ALDEHYDES AND/OR ALCOHOLS BASF SE (DE) 2021-09-22 EP disclosed
US-9174421-B2 Transfer assist members XEROX CORPORATION (US) 2015-11-03 US disclosed
US-20150104226-A1 TRANSFER ASSIST MEMBERS XEROX CORPORATION (US) 2015-04-16 US disclosed
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
EP-0512501-B1 Use of acetals CLARIANT GMBH (DE) 2001-11-28 EP disclosed
US-5759963-A LESS TOXIC, WATER IMMISCIBLE EMULSION DRILLING MUD SHOWING GOOD BIODEGRADABILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0537687-B1 Biodegradable fiber treating agent HOECHST AG (DE) 1997-03-12 EP disclosed
EP-0537687-A1 Biodegradable fiber treating agent HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-21 EP disclosed
EP-0512501-A2 Use of acetals HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed