SCHEMBL8978606

SCHEMBL8978606

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3NC(=O)C(C(=O)NC4CC5CCC4C5)=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.39
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP19A1 P11511 3/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
HTT P42858 1/20 0.33
PANK3 Q9H999 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL9580259 0.81 SRD5A1 (0.45) MBOAT4GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL5580932 0.80 MBOAT4 (0.41) MBOAT4GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL9235530 0.80 MBOAT4 (0.39) MBOAT4GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL9134492 0.79 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL10698417 0.79 MBOAT4 (0.45) MBOAT4GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL7643438 0.79 MBOAT4 (0.47) MBOAT4GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL4807036 0.79 MBOAT4 (0.47) MBOAT4GRIN1GRIN2BCYP19A1CYP3A4
SCHEMBL8564986 0.79 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BCYP3A4
SCHEMBL8569642 0.79 MBOAT4 (0.40) MBOAT4GRIN1GRIN2BCYP3A4
SCHEMBL9618180 0.75 SRD5A1 (0.44) MBOAT4GRIN1GRIN2B

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-5583138-A REDUCTASE INHIBITOR; SKIN DISORDERS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-12-10 US disclosed