SCHEMBL7205276

SCHEMBL7205276

CCCCCCCCCCCCCC(Cc1ccc(OC)cc1)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 6/20 0.53
▸ MMP1 P03956 6/20 0.53
▸ MMP13 P45452 4/20 0.53
▸ ADAM17 P78536 4/20 0.53
▸ MMP2 P08253 3/20 0.51
▸ LDHA P00338 1/20 0.50
▸ MMP3 P08254 3/20 0.49
▸ CNR1 P21554 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL28807917 0.89 LDHA (0.58) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL28807884 0.89 LDHA (0.58) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL28807897 0.89 LDHA (0.58) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL10809828 0.84 ESR1 (0.50) MMP1MMP2MMP3HSD17B10
SCHEMBL7005575 0.84 MMP2 (0.44) MMP1MMP2MMP3
SCHEMBL7201839 0.82 PPARA (0.49) MMP9MMP1MMP2MMP3PPARG
SCHEMBL27456250 0.82 LDHA (0.61) MMP2LDHAMMP3PPARGKMT2A
SCHEMBL5017227 0.82 MMP2 (0.57) MMP1MMP2MMP3
SCHEMBL8775060 0.82 LDHA (0.65) LDHAPPARGMEN1CYP2D6HTT
SCHEMBL28211408 0.82 MMP2 (0.57) MMP1MMP2MMP3

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
WO-2003010156-A1 METHOD FOR PREPARING $G(A)-HALOGENOALKYLARYLKETONES AND THEIR HALOGENATED INTERMEDIATE PRODUCTS RHODIA CHIMIE (FR) 2003-02-06 — — WO claimed
WO-2003010156-A1 METHOD FOR PREPARING $G(A)-HALOGENOALKYLARYLKETONES AND THEIR HALOGENATED INTERMEDIATE PRODUCTS RHODIA CHIMIE (FR) 2003-02-06 — — WO disclosed
Send feedback