SCHEMBL9532685

SCHEMBL9532685

CCCC1C[CH]c2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ THRB P10828 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ TP53 P04637 2/20 0.31

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
SCHEMBL9531349 0.86 POLB (0.40) POLBESR2CYP1A2CYP2C19THRB
SCHEMBL9530592 0.72 BRD4 (0.40) POLBMAPTHPGDSMN1; SMN2
SCHEMBL13638405 0.71 HRH3 (0.47) POLBESR2
SCHEMBL12309752 0.71 POLB (0.62) POLBESR2CYP1A2CYP2C19HTT
SCHEMBL29445402 0.69 CA2 (0.52) —
SCHEMBL2108392 0.69 CA2 (0.52) —
SCHEMBL20768161 0.68 P2RY6 (0.33) —
SCHEMBL4824743 0.68 HPGD (0.51) POLBESR2CYP1A2CYP2C19HPGD
SCHEMBL29610229 0.67 GRM2 (0.39) POLBESR2ALOX5HPGDGRM2
SCHEMBL25372050 0.67 POLB (0.36) POLBESR2HTTMTNR1ASMN1; SMN2

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
Send feedback