SCHEMBL9171997

SCHEMBL9171997

CC1Oc2cc(O)ccc2N=C2C=CC(=O)C=C21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.53
ESR1 P03372 9/20 0.53
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CYP19A1 P11511 3/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
YES1 P07947 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 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
SCHEMBL9165781 0.71 ESR1 (0.51) ESR2ESR1MAOAMAOBMEN1
SCHEMBL3164641 0.71 ESR1 (0.52) ESR2ESR1MEN1USP2POLB
SCHEMBL31163959 0.63
SCHEMBL562630 0.63 ALDH1A1 (0.33) ESR2ESR1
SCHEMBL22972963 0.63
SCHEMBL23767778 0.63
SCHEMBL4565328 0.62 ESR1 (0.55) ESR2ESR1BRD4CREBBPCYP19A1
SCHEMBL9559208 0.62 BRD4 (0.61) ESR2ESR1BRD4CREBBPMEN1
SCHEMBL9166727 0.62 ESR1 (0.38) ESR2ESR1
SCHEMBL23767850 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9274101-B2 Methods and kits for obtaining a metabolic profile of living animal cells BIOLOG, INC. (US) 2016-03-01 US disclosed
EP-1501938-B1 ANALYSIS OF SUBSTRATE UTILIZATION BY ANIMAL OR PLANT CELLS BIOLOG INC (US) 2009-10-21 EP disclosed
EP-0402699-B1 Chromogenic dibenzoxazepinone and dibenzothiazepinone enzyme substrates MILES INC (US) 1995-02-22 EP disclosed
US-5104980-A CHROMOGENIC DIBENZOXAZEPINONE AND DIBENZOTHIAZEPINONE ENZYME SUBSTRATES MILES INC. (US) 1992-04-14 US disclosed
EP-0402699-A2 Chromogenic dibenzoxazepinone and dibenzothiazepinone enzyme substrates MILES INC. (US) 1990-12-19 EP disclosed