SCHEMBL9532164

SCHEMBL9532164

CC1(C)[CH]c2ccccc2OC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
UBE2N P61088 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL22978927 0.80 ALOX5 (0.35) ABCG2ITGB2ICAM1ITGALALOX5
SCHEMBL9533561 0.77 HTR1A (0.33) ABCG2ITGB2ICAM1ITGALCHRM2
SCHEMBL9533854 0.75 ABCG2 (0.36) ABCG2ITGB2ICAM1ITGALALOX5
SCHEMBL9531618 0.75 ABCG2 (0.32) ABCG2ITGB2ICAM1ITGALALOX5
SCHEMBL10389872 0.75 CHRM2 (0.33) ABCG2ITGB2ICAM1ITGALALOX5
SCHEMBL9536178 0.74 HTR1A (0.31) CHRM2CHRM1CHRM3
SCHEMBL10390424 0.73 HTR1A (0.31) CHRM2CHRM1CHRM3
SCHEMBL9532312 0.72 ABCG2 (0.33) ABCG2ITGB2ICAM1ITGALALOX5
SCHEMBL9532845 0.72 CHRM2 (0.31) ABCG2ITGB2ICAM1ITGALCHRM2
SCHEMBL9531081 0.71 CHRM2 (0.31) CHRM2CHRM1CHRM3

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