SCHEMBL18029182

SCHEMBL18029182

COc1ccc2c(CC(N)C(=O)O)cn(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ADRB2 P07550 1/20 0.46
▸ MTNR1A P48039 4/20 0.46
▸ MTNR1B P49286 4/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ SSTR5 P35346 1/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL18028919 0.90 ADRB2 (0.59) ALDH1A1MAPTRECQLADRB2MTNR1A
SCHEMBL18029123 0.83 MAPT (0.52) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL18029329 0.83 MAPT (0.52) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL18029250 0.83 MAPT (0.52) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL19871244 0.82 MAPT (0.51) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL18029133 0.82 MAPT (0.51) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL19871241 0.82 ALDH1A1 (0.51) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL18029076 0.81 MAPT (0.50) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL19871246 0.80 MAPT (0.55) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL7254162 0.80 HTR6 (0.63) ALDH1A1MAPTRECQLHTR6MEN1

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
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 — — WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 — — WO disclosed
Send feedback