SCHEMBL21177981

SCHEMBL21177981

CCc1cc(C(C)(C)Cc2ccccc2)c(O)c(C(C)(C)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ESR1 P03372 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40

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
Phenol SCHEMBL27499906 0.80 HSPA5 (0.61) HSPA5TP53MEN1KMT2AGAA
SCHEMBL14283846 0.79 ESR1 (0.47) ESR1ESR2SLC6A2TAAR1LMNA
SCHEMBL2070812 0.79 HSPA5 (0.53) HSPA5TP53MEN1KMT2AESR1
SCHEMBL5006946 0.77 MEN1 (0.42) HSPA5MEN1KMT2AGAALMNA
SCHEMBL9817596 0.76 HSPA5 (0.50) HSPA5TP53MEN1KMT2AESR1
SCHEMBL28417205 0.76 HSPA5 (0.50) HSPA5TP53MEN1KMT2AESR1
SCHEMBL11081173 0.75 HSPA5 (0.54) HSPA5TP53MEN1KMT2AGAA
SCHEMBL39434 0.74 HSPA5 (0.74) HSPA5TP53MEN1KMT2AGAA
SCHEMBL5707885 0.74 ALDH1A1 (0.53) ESR1ESR2SLC6A2TAAR1LMNA
SCHEMBL11352569 0.73 HSPA5 (0.76) HSPA5MEN1KMT2AGAACYP2D6

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
WO-2019142501-A1 RUBBER COMPOSITION, TIRE, CONVEYOR BELT, RUBBER CRAWLER, VIBRATION-DAMPING DEVICE, SEISMIC ISOLATOR, AND HOSE 株式会社ブリヂストン 2019-07-25 — — WO disclosed
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