SCHEMBL16071368

SCHEMBL16071368

CCCCC[C@@H](O)c1ccc(C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.51
▸ TOP1 P11387 3/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ PPARG P37231 4/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ ADRB2 P07550 4/20 0.36

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
SCHEMBL6055394 0.95 PDE5A (0.46) PDE5ATOP1CNR1CNR2TP53
SCHEMBL6055266 0.89 PDE5A (0.40) PDE5ATP53TDP1TRPA1LMNA
SCHEMBL9082794 0.84 TP53 (0.38) PDE5ATP53TDP1TRPA1LMNA
SCHEMBL20342536 0.81 PDE2A (0.43) TP53TDP1TRPA1LMNACHRM1
SCHEMBL6055146 0.81 PDE2A (0.43) TP53TDP1TRPA1LMNACHRM1
SCHEMBL10884999 0.81 PDE5A (0.38) PDE5ACNR1CNR2TP53TDP1
SCHEMBL3843495 0.80 PDE5A (0.39) PDE5ATOP1TP53LMNACHRM1
SCHEMBL9297557 0.80 PDE5A (0.39) PDE5ATOP1TP53LMNACHRM1
SCHEMBL12630806 0.80 SLC6A2 (0.41) PDE5ATP53TDP1TRPA1LMNA
SCHEMBL23347583 0.79 PDE5A (0.37) PDE5ACNR1CNR2TP53TDP1

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
WO-2014142550-A1 PHENYL CARBAMATE COMPOUND AND A COMPOSITION FOR PREVENTING OR TREATING A PSYCHIATRIC DISORDER COMPRISING THE SAME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2014-09-18 — — WO disclosed
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