SCHEMBL7905925

SCHEMBL7905925

CCC#COC(=O)C(O)c1ccccc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
NAAA Q02083 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
CHRM1 P11229 2/20 0.34
DRD1 P21728 2/20 0.34
SLC6A2 P23975 2/20 0.34
ADRA1A P35348 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
KCNH2 Q12809 2/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A4 P31645 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL290175 0.82 TSHR (0.45) PTGDR2NAAAADORA3CYP1A2CYP2D6
SCHEMBL25188997 0.81 SLC6A2 (0.43) PTGDR2ADORA3CYP1A2CYP2D6HTR1A
SCHEMBL7914136 0.80 PTGDR2 (0.40) PTGDR2NAAAADORA3CYP1A2CYP2D6
SCHEMBL11467456 0.79 PTGDR2 (0.43) PTGDR2SLC6A2SLC6A4TSHRMEN1
SCHEMBL3364418 0.78 PTGDR2 (0.38) PTGDR2NAAAADORA3CYP1A2CYP2D6
SCHEMBL2062805 0.78 PTGDR2 (0.41) PTGDR2CYP1A2CYP2D6HTR1AADRA2A
SCHEMBL2062415 0.78 PTGDR2 (0.41) PTGDR2CYP1A2CYP2D6HTR1AADRA2A
SCHEMBL1222346 0.78 PTGDR2 (0.41) PTGDR2CYP1A2CYP2D6HTR1AADRA2A
SCHEMBL3365274 0.77 CHRM2 (0.53) PTGDR2ADORA3CYP1A2CYP2D6HTR1A
SCHEMBL7913181 0.76 ADRA2A (0.43) PTGDR2NAAAADORA3CYP1A2CYP2D6

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
US-6207852-B1 THERAPY FOR INCONTINENCE; CROHN'S DISEASE; MUSCLE RELAXANTS BRIDGE PHARMA, INC. 2001-03-27 US disclosed