SCHEMBL3706366

SCHEMBL3706366

C=CC(=O)C(C)Cc1ccc2c(c1)CCCOO2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
CTNNB1 P35222 4/20 0.32
WNT3A P56704 4/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
P2RX3 P56373 2/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8938407 0.73 AKR1B1 (0.43) CTNNB1WNT3ARAB9ANPC1POLB
SCHEMBL3709470 0.72 TAAR1 (0.36)
SCHEMBL3706111 0.72 ACACB (0.33) ACACBP2RX3
SCHEMBL7133381 0.69 TAAR1 (0.36) ACACBNPSR1
SCHEMBL7362444 0.67 DPP4 (0.39)
SCHEMBL5018926 0.66 CTNNB1 (0.43) ACACBCTNNB1WNT3ARAB9ANPC1
SCHEMBL5707367 0.65 KMT2A (0.48) ACACBRAB9ANPC1
SCHEMBL9227299 0.65 TRPA1 (0.47)
SCHEMBL8938549 0.65 AKR1B1 (0.44) RAB9ANPC1POLB
SCHEMBL18383090 0.65 HPGD (0.51) RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077976-A2 PROKINETICIN RECEPTOR ANTAGONISTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 WO disclosed