SCHEMBL9700898

SCHEMBL9700898

C=C=C(CN)COc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.49
MAOB P27338 6/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
PKM P14618 1/20 0.47
MAOA P21397 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL7405667 0.76 MAOB (0.68) FKBP1AMAOBNPC1RAB9AMAOA
SCHEMBL28851447 0.75 FKBP1A (0.62) FKBP1AMAOBNPC1RAB9APKM
SCHEMBL7024761 0.74 MAOB (0.66) MAOBNPC1RAB9AMAOAMAPT
SCHEMBL9703320 0.74 AGXT (0.54) NPC1RAB9AALDH1A1POLBHPGD
SCHEMBL3758230 0.73 MAOB (0.61) FKBP1AMAOBNPC1RAB9APKM
SCHEMBL3758228 0.73 MAOB (0.61) FKBP1AMAOBNPC1RAB9APKM
SCHEMBL3758225 0.73 MAOB (0.61) FKBP1AMAOBNPC1RAB9APKM
SCHEMBL2729496 0.73 FKBP1A (0.63) FKBP1AMAOBNPC1RAB9APKM
SCHEMBL8542594 0.73 MAOB (0.64) MAOBNPC1RAB9AMAOAMAPT
Hydrochloric Acid SCHEMBL2947233 0.72 MAOB (0.59) FKBP1AMAOBNPC1RAB9APKM

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