SCHEMBL9531663

SCHEMBL9531663

[CH]1c2ccccc2CC12CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM1A O60341 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRNA7 P36544 1/20 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
SCHEMBL9533372 0.98 KDM1A (0.34) ALDH1A1LMNAPOLBALOX12KDM1A
SCHEMBL9533537 0.89 TSHR (0.31) TSHR
SCHEMBL18440302 0.78 PARP1 (0.34) ALDH1A1LMNAPOLBALOX12KDM1A
SCHEMBL22499372 0.77
SCHEMBL18440606 0.73 PARP1 (0.34) TSHR
SCHEMBL7830334 0.69 HTR2A (0.33) ALDH1A1LMNAPOLBALOX12CHRNA7
SCHEMBL18440156 0.68 PARP1 (0.36) GAAMAPT
SCHEMBL29791692 0.68 PARP1 (0.36) GAAMAPT
SCHEMBL2581169 0.67 MAOB (0.33) ALDH1A1TSHR
SCHEMBL9530486 0.67 ALDH1A1 (0.33) ALDH1A1

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