SCHEMBL11248569

SCHEMBL11248569

O=C(Cl)CC1COc2ccccc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
POLB P06746 1/20 0.59
HPGD P15428 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TSHR P16473 2/20 0.58
MTNR1A P48039 1/20 0.57
RAB9A P51151 3/20 0.57
ALOX5 P09917 1/20 0.56
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL4553361 0.85 HTT (0.71) HTTPOLBHPGDALDH1A1TSHR
SCHEMBL1568297 0.85 HTT (0.62) HTTPOLBHPGDALDH1A1TSHR
SCHEMBL11391442 0.83 ALOX5 (0.64) HTTPOLBHPGDALDH1A1TSHR
Hydrochloric Acid SCHEMBL10926011 0.82 ALOX5 (0.62) HTTPOLBHPGDALDH1A1TSHR
SCHEMBL9692477 0.80 CYP1A2 (0.63) HTTPOLBHPGDALDH1A1TSHR
SCHEMBL11542575 0.77 HTT (0.57) HTTPOLBHPGDALDH1A1MTNR1A
SCHEMBL3257424 0.77 MEN1 (0.62) HTTPOLBHPGDALDH1A1TSHR
SCHEMBL568115 0.77 ADRA2A (0.60) HTTPOLBHPGDALDH1A1MTNR1A
SCHEMBL1568337 0.77 ADRA2A (0.60) HTTPOLBMTNR1AALOX5HTR1A
SCHEMBL3266284 0.77 ADRA2A (0.60) HTTPOLBHPGDALDH1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329348-A ANTIDEPRESSANTS AND PSYCHOSTIMULANTS CIBA-GEIGY CORPORATION (US) 1982-05-11 US disclosed