SCHEMBL9702070

SCHEMBL9702070

C=C=C(CN)Cc1c(OC)cccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
IDO1 P14902 1/20 0.35
HTR2A P28223 2/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL9702162 0.82 TAAR1 (0.54) TAAR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL9702788 0.81 TAAR1 (0.42) TAAR1KDM4EALDH1A1MAPK1CA1
SCHEMBL9702039 0.78 SMN1; SMN2 (0.47) TAAR1LMNAALDH1A1MAPTMAPK1
SCHEMBL9701676 0.74 KDM4E (0.56) TAAR1LMNAKDM4EALDH1A1CYP3A4
SCHEMBL9701633 0.73 TAAR1 (0.57) TAAR1IDO1
SCHEMBL9703267 0.72 CA12 (0.44) TAAR1LMNATP53KDM4EALDH1A1
SCHEMBL9701904 0.72 ADRA1A (0.58) TAAR1HSD17B10IDO1HTR2A
SCHEMBL9702802 0.72 ADRA1A (0.50) TAAR1ALDH1A1CYP3A4HSD17B10CA1
SCHEMBL11113499 0.71 LMNA (0.37) TAAR1LMNATP53KDM4EALDH1A1
SCHEMBL6963550 0.70 TAAR1 (0.61) TAAR1KDM4ECYP3A4MAPK1HTR2A

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-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed