SCHEMBL11639769

SCHEMBL11639769

O=C(c1ccccc1F)c1cc(Cl)ccc1OCCCl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
ATM Q13315 1/20 0.42
PPIA P62937 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.41
KCNMA1 Q12791 1/20 0.41
PTGER1 P34995 1/20 0.41
RECQL P46063 1/20 0.40
PNLIP P16233 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL11641654 0.86 NPC1 (0.47) LMNANPSR1KMT2ANPC1HPGD
SCHEMBL11643265 0.84 KDM4E (0.54) PTGDR2MRGPRX4HPGD
SCHEMBL11642707 0.82 PTGDR2 (0.50) LMNANPSR1PTGDR2ATMGAA
SCHEMBL11644176 0.82 TSHR (0.48) L3MBTL1LMNANPSR1KMT2ATSHR
SCHEMBL11642634 0.82 MAPT (0.45) LMNANPSR1PTGDR2RECQLPOLB
SCHEMBL5990108 0.81 NPC1 (0.53) L3MBTL1LMNANPSR1KCNMA1POLB
SCHEMBL11644710 0.79 POLB (0.51) PTGDR2MRGPRX4POLBGAATSHR
SCHEMBL929689 0.77 TSHR (0.63) L3MBTL1PTGDR2MRGPRX4PTGER1POLB
SCHEMBL611188 0.75 RECQL (0.58) L3MBTL1LMNANPSR1PPIAKCNMA1
SCHEMBL11638829 0.75 POLB (0.47) PTGDR2POLB

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-4125538-A ANALGESIC, ANTITUSSIVE BRISTOL-MYERS COMPANY (US) 1978-11-14 US disclosed