SCHEMBL31075853

SCHEMBL31075853

COc1c(F)cc([C@@H](C)CO)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.41
ABCB11 O95342 1/20 0.41
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA1 P00915 1/20 0.34
CA6 P23280 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TPMT P51580 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
SCHEMBL31075666 1.00 ADRB2 (0.41) ADRB2ABCB11CA2CA4CA1
SCHEMBL31076037 1.00 ADRB2 (0.41) ADRB2ABCB11CA2CA4CA1
SCHEMBL31075765 0.84 CA2 (0.35) ADRB2CA2CA4CA1CA6
SCHEMBL31076303 0.84 CA2 (0.35) ADRB2CA2CA4CA1CA6
SCHEMBL31063360 0.81 CA2 (0.38) ADRB2CA2CA4HSD17B10TPMT
SCHEMBL9957836 0.81 CA2 (0.41) ADRB2CA2CA4CA1CA6
SCHEMBL31063174 0.81 CA2 (0.41) ADRB2CA2CA4CA1CA6
SCHEMBL31063457 0.78 CA2 (0.38) ADRB2CA2CA4CA1CA6
SCHEMBL31063371 0.78 CA2 (0.41) ADRB2CA2CA4CA1CA6
SCHEMBL25087486 0.74 HTR2A (0.38) ABCB11CA2CA4CA1CA6

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
EP-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed