SCHEMBL9044934

SCHEMBL9044934

COc1ccc(C(=O)CCCCCCCCCCC#N)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.57
WNT3A P56704 3/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
ELANE P08246 1/20 0.53
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ACHE P22303 1/20 0.48
PAX8 Q06710 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47

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
SCHEMBL11767895 0.94 CTNNB1 (0.60) CTNNB1WNT3AMAPTALDH1A1ELANE
SCHEMBL7017185 0.88 CTNNB1 (0.63) CTNNB1WNT3AMAPTALDH1A1ELANE
SCHEMBL31556194 0.88 CTNNB1 (0.71) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL31556192 0.87 CTNNB1 (0.73) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL9588048 0.82 THRA (0.66) CTNNB1WNT3ATHRATHRBPDE4A
SCHEMBL5355533 0.82 CTNNB1 (0.63) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL27200216 0.82 CTNNB1 (0.63) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL11612755 0.81 CTNNB1 (0.61) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL9375696 0.81 CTNNB1 (0.65) CTNNB1WNT3AMAPTALDH1A1TSHR
SCHEMBL9119840 0.81 CTNNB1 (0.65) CTNNB1WNT3AMAPTALDH1A1TSHR

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
EP-0339599-B1 Process for producing acylaromatic compounds SUMITOMO CHEMICAL CO (JP) 1996-08-21 EP disclosed
US-5235068-A Using a boron trifluoride complex catalyst to react an aromatic compound and anhydride or acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-10 US disclosed
EP-0339599-A2 Process for producing acylaromatic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-02 EP disclosed