SCHEMBL27968978

SCHEMBL27968978

CCCCOc1cccc(OC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ SMPD1 P17405 3/20 0.49
▸ PLA2G4B P0C869 1/20 0.49
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL12667223 0.86 LMNA (0.58) KMT2ALMNACYP1A2CYP2C9TSHR
SCHEMBL11504437 0.85 KMT2A (0.56) FAAHKDM4EKMT2ALMNATHRB
SCHEMBL10397402 0.82 RARB (0.57) FAAHKMT2ALMNACYP1A2CYP2C9
SCHEMBL27968882 0.82 KDM4E (0.53) KDM4EUSP2ALDH1A1ALOX15NPSR1
SCHEMBL3682190 0.81 SMPD1 (0.61) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL198523 0.80 ESR1 (0.59) ALDH1A1LMNACYP1A2CYP2C9TSHR
Methyl Alcohol SCHEMBL27541418 0.80 KMT2A (0.71) FAAHKDM4EKMT2ALMNATSHR
SCHEMBL197632 0.80 KMT2A (0.76) FAAHKDM4EKMT2ALMNATSHR
SCHEMBL13309867 0.80 NPC1 (0.67) KMT2ALMNACYP1A2CYP2C9TSHR
SCHEMBL13309866 0.80 NPC1 (0.67) KMT2ALMNACYP1A2CYP2C9TSHR

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-103781805-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限责任公司 2016-10-12 — — CN disclosed
CN-103781805-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE SRL 2014-05-07 — — CN disclosed
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