SCHEMBL11309594

SCHEMBL11309594

CC(=O)OC(C)/C=C(\C)CCC=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
TSHR P16473 4/20 0.38
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL11309601 1.00 HPGD (0.40) HPGDTSHRCHRM2CHRM4CHRM1
SCHEMBL1618215 0.83 ALOX15 (0.53) ALDH1A1ALOX15MAPTFNTAFNTB
SCHEMBL29666075 0.83 ALOX15 (0.53) ALDH1A1ALOX15MAPTFNTAFNTB
SCHEMBL1618217 0.83 ALOX15 (0.53) ALDH1A1ALOX15MAPTFNTAFNTB
SCHEMBL18338891 0.83 ALOX15 (0.53) ALDH1A1ALOX15MAPTFNTAFNTB
SCHEMBL25410882 0.82 LMNA (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4716275 0.78 FNTA (0.42) ALDH1A1ALOX15MAPTFNTAFNTB
SCHEMBL11045594 0.74 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11045597 0.74 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18121599 0.72 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R

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-4260551-A ALIPHATIC OR AROMATIC ESTERS, ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-07 US disclosed
US-4199519-A TREATMENT OF PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1980-04-22 US disclosed
US-4192953-A TREATMENT OF PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1980-03-11 US disclosed
US-4151357-A FOR PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1979-04-24 US disclosed
US-4059641-A ANTIULCER SANKYO COMPANY LIMITED (JA) 1977-11-22 US disclosed