SCHEMBL1276249

SCHEMBL1276249

C[C@]1(O)CCC(C(=O)O)=C1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD11B1 P28845 3/20 0.36
KMT2A Q03164 1/20 0.35
CCR2 P41597 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.34
HTT P42858 1/20 0.34
APAF1 O14727 1/20 0.34
POLB P06746 1/20 0.34
GRK2 P25098 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL28412588 0.71 PTGS2 (0.43) BCL2L1BADAPPCYP3A4CYP2C9
SCHEMBL23878282 0.67 POLB (0.41) BCL2L1BADAPPCYP3A4CYP2C9
SCHEMBL6499224 0.65 SLC6A3 (0.51) BCL2L1BADKMT2APTGS2PTGS1
SCHEMBL28148964 0.65 BCL2L1 (0.40) BCL2L1BADAPPCYP3A4CYP2C9
SCHEMBL28026523 0.64 BCL2L1 (0.39) BCL2L1BADAPPCYP3A4CYP2C9
SCHEMBL7183318 0.61 LIG1 (0.36) APPCYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL8327797 0.61 LIG1 (0.36) APPCYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL4320799 0.61 BCL2L1 (0.43) BCL2L1BADHSD11B1KMT2APTGS2
SCHEMBL17761264 0.60 APP (0.54) APPCYP3A4CYP2C9CYP2C19HSD11B1
Bicarbonate SCHEMBL28812694 0.60 BCL2L1 (0.68) BCL2L1BADKMT2AHTTAPAF1

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-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed
US-7893091-B2 Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed