SCHEMBL9531349

SCHEMBL9531349

CCC1C[CH]c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ THRB P10828 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CA2 P00918 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ AIMP2 Q13155 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL9532685 0.86 POLB (0.38) POLBESR2THRBMAPTMTNR1A
SCHEMBL9530592 0.75 BRD4 (0.40) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20265949 0.74 THRB (0.34) POLBESR2THRBMAPTTP53
SCHEMBL20768161 0.71 P2RY6 (0.33) —
SCHEMBL434338 0.69 HRH3 (0.49) CA2
SCHEMBL2631380 0.69 POLB (0.61) POLBESR2MTNR1ACA2CYP1A2
SCHEMBL31061980 0.69 POLB (0.61) POLBESR2MTNR1ACA2CYP1A2
SCHEMBL172391 0.69 POLB (0.61) POLBESR2MTNR1ACA2CYP1A2
SCHEMBL5884655 0.68 MAOB (0.47) MAPTCYP3A4NPC1HPGDMAPK1
SCHEMBL6051185 0.67 CA2 (0.55) CA2CYP1A2CYP2D6CYP2C19SMN1; 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
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