Sugi Predict

Sugi Predict / Compounds / SCHEMBL28053400

SCHEMBL28053400

SCHEMBL28053400

CC(C)(C)c1ccc(CC#N)cc1.CC(C)(C)c1ccc(CC(C(=O)C(Cc2ccc(C(C)(C)C)cc2)c2ccc(O)cc2O)c2ccc(O)cc2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 9/20 0.38
▸ ESRRB O95718 5/20 0.38
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ CTSL P07711 1/20 0.36
▸ ACACB O00763 2/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL28053402 0.83 TP53 (0.42) ESRRGESRRBESR1ESR2CTSL
SCHEMBL8590391 0.78 ESR1 (0.49) ESR1ESR2TP53TSHR
SCHEMBL28761809 0.73 MAPT (0.47) ESR1ESR2NLRP3
SCHEMBL27886551 0.73 NPC1 (0.50) ESR1ESR2NLRP3
SCHEMBL105433 0.71 KIF11 (0.47) ESR1ESR2TP53TSHR
SCHEMBL28296507 0.69 FOS (0.55) TSHR
SCHEMBL10404681 0.68 HSP90AB1 (0.47) TSHR
SCHEMBL15125629 0.66 KIF11 (0.57) ESR1ESR2TP53TSHR
SCHEMBL4027743 0.65 ESR1 (0.58) ESRRGESRRBESR1ESR2
SCHEMBL19806867 0.64 TYR (0.50) ESRRGESR1ESR2TSHR

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-105377253-A Anti-viral compounds, pharmaceutical compositions, and methods of use thereof KINETA INC 2016-03-02 — — CN disclosed
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