SCHEMBL7548931

SCHEMBL7548931

Cc1ccc(CCCI)cc1.[Zn]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALOX15 P16050 2/20 0.48
IGF1R P08069 1/20 0.48
HRH1 P35367 1/20 0.44
IDO1 P14902 1/20 0.42
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGXT P21549 1/20 0.38

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
SCHEMBL7376337 0.98 CYP1A2 (0.52) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL2680220 0.95 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL16744188 0.91 CYP1A2 (0.46) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL17403329 0.91 IGF1R (0.53) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL11395796 0.88 IGF1R (0.52) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL7547399 0.87 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL7434377 0.85 CYP1A2 (0.59) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL6546754 0.82 IGF1R (0.64) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL6546878 0.82 CYP1A2 (0.62) CYP1A2CYP2A6TAAR1ALOX15IGF1R
SCHEMBL28184336 0.79 IGF1R (0.61) CYP1A2CYP2A6TAAR1ALOX15IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482990-B1 Prostaglandin E analogues TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-11-19 US disclosed
EP-1211241-A1 PROSTAGLANDIN E ANALOGUES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-06-05 EP disclosed