SCHEMBL9533119

SCHEMBL9533119

CCC1(C)[CH]c2ccccc2CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
SIGMAR1 Q99720 6/20 0.33
HTR2A P28223 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KDM1A O60341 2/20 0.33
TP53 P04637 1/20 0.33
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9531466 0.86 SIGMAR1 (0.34) MAOBKDM4EGAASIGMAR1KDM1A
SCHEMBL9530955 0.81 KMT2A (0.38) KDM4EGAANPSR1PRNPPPARG
SCHEMBL9532323 0.79 MAOB (0.36) MAOBKDM4ENPSR1SIGMAR1HTR2A
SCHEMBL7883341 0.76 MAOB (0.39) MAOBSIGMAR1HTR2AALDH1A1HTR2C
SCHEMBL9531785 0.73 SIGMAR1 (0.35) MAOBSIGMAR1KDM1A
SCHEMBL9531388 0.70 ALOX12 (0.36) MAOBKDM4EGAANPSR1PRNP
SCHEMBL9532397 0.68 NPSR1 (0.37) MAOBKDM4EGAANPSR1PRNP
SCHEMBL11256078 0.66 SIGMAR1 (0.44) NPSR1PPARGSIGMAR1HTR2AALDH1A1
SCHEMBL9533561 0.66 HTR1A (0.33) SIGMAR1HTR2B
SCHEMBL7549093 0.65 SIGMAR1 (0.44) MAOBSIGMAR1HTR2AALDH1A1KDM1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed