SCHEMBL9759984

SCHEMBL9759984

CCCCOC(CCCC(OCCCC)OCCCC)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
DNM1 Q05193 3/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
SMPD1 P17405 3/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
CA9 Q16790 1/20 0.31
OPRM1 P35372 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
SCHEMBL7531962 0.94 ADRB2 (0.39) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL31636211 0.94 SMPD1 (0.40) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL1897872 0.92 SMPD1 (0.43) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL14780190 0.90 SMPD1 (0.47) DNM1CA1CA2SMPD1TSHR
SCHEMBL14778871 0.90 SMPD1 (0.47) DNM1CA1CA2SMPD1TSHR
SCHEMBL14777882 0.90 SMPD1 (0.47) DNM1CA1CA2SMPD1TSHR
SCHEMBL9809154 0.90 SMPD1 (0.47) DNM1CA1CA2SMPD1TSHR
SCHEMBL14779185 0.90 SMPD1 (0.47) DNM1CA1CA2SMPD1TSHR
SCHEMBL9809153 0.90 SMPD1 (0.47) DNM1CA1CA2SMPD1TSHR
SCHEMBL14778794 0.90 SMPD1 (0.47) DNM1CA1CA2SMPD1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106222-A Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2022-03-01 CN claimed
US-5015554-A Comprising an acid-forming photosensitive compound, an acid-cleavable diacetal and a water insoluble binder; photoresists; plasticizing; flexible films HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed