SCHEMBL8918360

SCHEMBL8918360

NCCCCCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
S1PR4 O95977 8/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
HPGD P15428 5/20 0.49
TSHR P16473 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL7536535 0.93 MAPT (0.55) MAPTS1PR4MRGPRX4HPGDTSHR
SCHEMBL3453883 0.87 S1PR4 (0.54) MAPTS1PR4MRGPRX4HPGDTSHR
SCHEMBL8917491 0.86 ALDH1A1 (0.54) MAPTMRGPRX4HPGDTSHRRAB9A
Hydrochloric Acid SCHEMBL21595895 0.85 S1PR4 (0.53) MAPTS1PR4MRGPRX4HPGDSMN1; SMN2
SCHEMBL9214093 0.83 MAPT (0.57) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL11413525 0.82 S1PR4 (0.66) MAPTS1PR4TDP1
SCHEMBL15894082 0.82 ALDH1A1 (0.60) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL8955798 0.82 MAPK1 (0.61) MAPTS1PR4MRGPRX4HPGDTSHR
SCHEMBL15894081 0.82 ALDH1A1 (0.60) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL8778533 0.82 MAPT (0.53) MAPTS1PR4HPGDTSHRRAB9A

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-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed