SCHEMBL30768285

SCHEMBL30768285

CC(C)(C)OC(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)cc2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
TRPV1 Q8NER1 3/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDR P35968 2/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL24749691 1.00 RXFP1 (0.41) RXFP1TRPV1KMT2ANPC1RAB9A
SCHEMBL24749762 0.86 RXFP1 (0.40) RXFP1KMT2AKDRRAF1BRAF
SCHEMBL24749750 0.86 LMNA (0.45)
SCHEMBL31009416 0.86 LMNA (0.45)
SCHEMBL24750237 0.85 BRAF (0.42) RXFP1KMT2AKDRBRAFMEN1
SCHEMBL24750232 0.79 RXRA (0.37) TRPV1KMT2AMMP2MMP9MMP1
SCHEMBL29344673 0.78 MEN1 (0.38) RXFP1KMT2ANPC1RAB9ABRAF
SCHEMBL29937909 0.77 P2RX7 (0.40) TRPV1KMT2AMMP2MMP9MMP1
SCHEMBL24750190 0.77 P2RX7 (0.40) TRPV1KMT2AMMP2MMP9MMP1
SCHEMBL29149304 0.77 CNR2 (0.41) KMT2AMEN1POLB

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
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed