SCHEMBL9243918

SCHEMBL9243918

CCCCCCCCOC(=O)C(C(=O)CCCCCCCC)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL10604371 0.94 TSHR (0.55) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL10611234 0.90 TSHR (0.56) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL14680081 0.90 TSHR (0.63) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL9245980 0.90 TSHR (0.63) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL14673323 0.90 TSHR (0.63) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL10607625 0.88 TSHR (0.53) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL10890477 0.83 ASAH1 (0.52) ALDH1A1
SCHEMBL2277110 0.83 TSHR (0.61) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL10603868 0.82 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL10887491 0.82 SRC (0.53) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5331086-A Deashing process for polyolefins using an alpha,beta-unsaturated ketone PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 — — US claimed
US-5426175-A Deactivating polymerization catalyst of Groups 4,5,6,7 metal compounds and Groups 1,2,3 organometal cocatalyst with dicarbonyls and alkylene oxide, washing with lower alkanol; branched alpha-olefin monomers PHILLIPS PETROLEUM COMPANY (US) 1995-06-20 — — US disclosed
US-5331086-A Deashing process for polyolefins using an alpha,beta-unsaturated ketone PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 — — US disclosed
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