SCHEMBL10669455

SCHEMBL10669455

CCC/N=C1\S/C(=C\C(=O)O)C(=O)N1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ FAAH O00519 1/20 0.40
▸ S1PR1 P21453 8/20 0.39
▸ S1PR3 Q99500 3/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ RECQL P46063 2/20 0.35

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
SCHEMBL10669461 1.00 KDM4E (0.41) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10667408 0.86 KDM4E (0.40) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10667400 0.86 KDM4E (0.40) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10665796 0.85 CDC25A (0.42) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10665789 0.85 CDC25A (0.42) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10661496 0.84 CDC25A (0.44) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10662819 0.84 CDC25A (0.44) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10666033 0.84 CDC25A (0.44) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10664577 0.84 CDC25A (0.44) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10661502 0.84 CDC25A (0.44) KDM4EHPGDLMNASMN1; SMN2ALDH1A1

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-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
Send feedback