SCHEMBL7436237

SCHEMBL7436237

Cc1ccc2c(c1)OCC(C(O)CNC1CCN(C(C(N)=O)c3ccc(C(F)(F)F)cc3)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 10/20 0.42
OGA O60502 2/20 0.40
CCR3 P51677 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
EPHX1 P07099 1/20 0.33
TACR1 P25103 1/20 0.32
CCR5 P51681 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7430176 0.90 TEAD1 (0.44) TEAD1OGAADRB1ADRB3
SCHEMBL7436565 0.89 ALDH1A1 (0.39)
SCHEMBL10994657 0.86 TEAD1 (0.42) TEAD1OGACCR3
SCHEMBL7443120 0.86 LMNA (0.41) ADRB1ADRB3
SCHEMBL7437018 0.84 TSHR (0.32) POLB
SCHEMBL7442146 0.84 EPHX1 (0.41) TEAD1OGAEPHX1POLB
SCHEMBL7434579 0.84 CA2 (0.35)
SCHEMBL7437302 0.83 TEAD1 (0.35) TEAD1OGATRPV1EPHX1
SCHEMBL7495730 0.82 CA2 (0.36) POLB
SCHEMBL7433758 0.82 NPC1 (0.38) ADRB1ADRB3

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed