SCHEMBL9737986

SCHEMBL9737986

Cc1cc2c(s1)CCCC(CC(=O)O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.43
ADRA1A P35348 5/20 0.43
ADRA1B P35368 5/20 0.43
ITGB3 P05106 9/20 0.38
ITGA2B P08514 9/20 0.38
DGAT1 O75907 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL9382556 0.92 ADRA1D (0.49) ADRA1DADRA1AADRA1BITGB3ITGA2B
SCHEMBL9737476 0.84 ITGB3 (0.38) ADRA1DADRA1AADRA1BITGB3ITGA2B
SCHEMBL9737731 0.76 TP53 (0.41) ITGB3ITGA2BDGAT1TP53L3MBTL1
SCHEMBL7289455 0.76 ITGB3 (0.36) ADRA1DADRA1AADRA1BITGB3ITGA2B
SCHEMBL9382468 0.75 ITGB3 (0.42) ADRA1DADRA1AADRA1BITGB3ITGA2B
SCHEMBL10447550 0.73 ADRA1D (0.47) ADRA1DADRA1AADRA1BMEN1TSHR
SCHEMBL7296944 0.72 ITGB3 (0.33) ADRA1DADRA1AADRA1BITGB3ITGA2B
SCHEMBL10426987 0.70 ADRA1D (0.45) ADRA1DADRA1AADRA1B
SCHEMBL8534684 0.69 DGAT1 (0.50) ITGB3ITGA2BDGAT1FFAR1
SCHEMBL467521 0.69 ACHE (0.55) DGAT1TP53L3MBTL1CYP2C19

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-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed
EP-0394471-A1 THIENOCYCLOHEPTAPYRIDAZINE COMPOUNDS AND MEDICINAL USES THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-31 EP disclosed