SCHEMBL9702788

SCHEMBL9702788

C=C=C(CN)Cc1cccc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLS O94925 1/20 0.39

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 0.86 TAAR1 (0.54) TAAR1ALDH1A1MEN1KMT2AGAA
SCHEMBL9702070 0.81 TAAR1 (0.40) TAAR1CA12CA1CA2CA14
SCHEMBL9702039 0.79 SMN1; SMN2 (0.47) TAAR1ALDH1A1MEN1KMT2APOLB
SCHEMBL11113169 0.75 CA12 (0.43) TAAR1CA12CA1CA2CA14
SCHEMBL30839502 0.74 TAAR1 (0.69) TAAR1CA12CA1CA2CA14
SCHEMBL151944 0.74 TAAR1 (0.69) TAAR1CA12CA1CA2CA14
SCHEMBL9702802 0.73 ADRA1A (0.50) TAAR1CA12CA1CA2CA14
SCHEMBL9701904 0.73 ADRA1A (0.58) TAAR1MEN1KMT2A
SCHEMBL622628 0.73 CA12 (0.53) TAAR1CA12CA1CA2CA14
SCHEMBL1032325 0.73 CA12 (0.50) CA12CA1CA2CA14ALDH1A1

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