SCHEMBL14449331

SCHEMBL14449331

Cc1ccc2c(c1)C(F)(F)C(C)C(C)O2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.40
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL14449374 0.86 AKR1B1 (0.34) AKR1B1BRD4CREBBPPTGS2
SCHEMBL14449325 0.72 AKR1B1 (0.43) AKR1B1BRD4CREBBPPTGS2
SCHEMBL14449324 0.71 AKR1B1 (0.55) AKR1B1BRD4CREBBP
SCHEMBL15253454 0.69 AKR1B1 (0.42) AKR1B1BRD4CREBBP
SCHEMBL8282240 0.69 CREBBP (0.40) AKR1B1BRD4CREBBPPTGS2
SCHEMBL19122771 0.66 CREBBP (0.38) AKR1B1BRD4CREBBPPTGS2
SCHEMBL26476510 0.66 CYP1A2 (0.33) —
SCHEMBL17193797 0.64 GAA (0.38) AKR1B1BRD4CREBBPPTGS2
SCHEMBL18643708 0.64 GAA (0.38) AKR1B1BRD4CREBBPPTGS2
SCHEMBL11271026 0.64 AKR1B1 (0.41) AKR1B1BRD4CREBBPPTGS2

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
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 — — US disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 — — US disclosed
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