SCHEMBL20056786

SCHEMBL20056786

c1ccc(CCSCC[C@@H]2CCCN2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
GBA1 P04062 2/20 0.49
LTA4H P09960 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL13034259 0.86 POLB (0.54) POLBLTA4H
SCHEMBL2693506 0.85 POLB (0.61) POLBLTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL6535590 0.85 POLB (0.61) POLBLTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL6535532 0.85 POLB (0.61) POLBLTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL8667461 0.82 POLB (0.57) POLBLTA4H
SCHEMBL478125 0.80 POLB (0.69) POLBLTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL11539185 0.78 POLB (0.65) POLBLTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL20056668 0.76 POLB (0.54) POLBLTA4H
SCHEMBL12133581 0.76 POLB (0.54) POLBLTA4H
SCHEMBL9015256 0.76 POLB (0.57) POLBLTA4H

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
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed