SCHEMBL9817596

SCHEMBL9817596

CCCC(C)(C)c1cc(CC)cc(C(C)(C)CCC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.50
ALDH1A1 P00352 8/20 0.40
TSHR P16473 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
HIF1A Q16665 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GMNN O75496 1/20 0.39
GABBR2 O75899 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL11661680 0.88 HSPA5 (0.42) HSPA5ALDH1A1TSHRGAALMNA
SCHEMBL11027894 0.86 ALDH1A1 (0.42) HSPA5ALDH1A1TSHRGAALMNA
SCHEMBL8338843 0.85 ALDH1A1 (0.38) HSPA5ALDH1A1TSHRGAALMNA
SCHEMBL11278360 0.85 ALDH1A1 (0.38) HSPA5ALDH1A1TSHRGAALMNA
SCHEMBL8926209 0.83 CA2 (0.38) ALDH1A1TSHRGAALMNAKMT2A
SCHEMBL2070812 0.83 HSPA5 (0.53) HSPA5ALDH1A1TSHRGAALMNA
SCHEMBL4893228 0.83 HSPA5 (0.54) HSPA5ALDH1A1TSHRGAALMNA
SCHEMBL2343687 0.82 HSPA5 (0.50) HSPA5CYP1A2ALOX15ESR1ESR2
SCHEMBL29729371 0.82 HSPA5 (0.50) HSPA5CYP1A2ALOX15ESR1ESR2
SCHEMBL11205488 0.82 ALDH1A1 (0.36) HSPA5ALDH1A1TSHRGAALMNA

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-0227913-B1 STABILIZED GOSSYPLURE AND METHODS FOR PREPARATION THEREOF PHILLIPS PETROLEUM COMPANY (US) 1991-11-06 EP disclosed
EP-0227913-A1 Stabilized gossyplure and methods for preparation thereof PHILLIPS PETROLEUM COMPANY (US) 1987-07-08 EP disclosed