SCHEMBL8201212

SCHEMBL8201212

COC(=O)C1CCCC(Oc2ccc([C@@H](O)CN)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.41
PARP10 Q53GL7 1/20 0.40
FFAR1 O14842 1/20 0.40
BCHE P06276 1/20 0.39
FURIN P09958 2/20 0.39
HPGD P15428 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8499680 0.79 ADRB3 (0.51) ACACB
SCHEMBL7399544 0.73 ALDH1A1 (0.46) ACACBSMN1; SMN2
SCHEMBL22252465 0.72 P2RX7 (0.54)
SCHEMBL26197517 0.71 CA1 (0.40) PARP10FURINSMN1; SMN2
SCHEMBL24288059 0.71 ACACB (0.46) ACACBPARP10FFAR1
SCHEMBL10148464 0.70 ALDH1A1 (0.51)
SCHEMBL10148461 0.70 SMN1; SMN2 (0.47) PARP10FURINHPGDSMN1; SMN2
SCHEMBL10148472 0.70 SMN1; SMN2 (0.47) PARP10FURINHPGDSMN1; SMN2
SCHEMBL10148457 0.70 ALDH1A1 (0.51)
SCHEMBL29908033 0.69 SLCO1B1 (0.54)

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-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed