SCHEMBL10401993

SCHEMBL10401993

O=C(O)OCSc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 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
SCHEMBL10401991 0.85 FFAR1 (0.52) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL6248478 0.83 ALDH1A1 (0.52) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL16104933 0.82 TDP1 (0.55) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL10402569 0.82 ALDH1A1 (0.42) FFAR1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9427645 0.81 ALDH1A1 (0.56) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL27166998 0.80 FFAR1 (0.47) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL6535141 0.80 FFAR1 (0.47) FFAR1ALDH1A1MAPK1RAB9ANPC1
Hydrochloric Acid SCHEMBL11846875 0.79 ALDH1A1 (0.54) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL9624319 0.79 ALDH1A1 (0.59) FFAR1ALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL3663713 0.79 FFAR1 (0.46) FFAR1ALDH1A1MAPK1RAB9ANPC1

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed