SCHEMBL9018510

SCHEMBL9018510

CC(C)Oc1ccc(C[C@H](NOP(C)(=O)O)c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.36
XDH P47989 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MME P08473 1/20 0.33
ECE1 P42892 1/20 0.33
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FDPS P14324 2/20 0.32

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
SCHEMBL8921316 0.85 ECE1 (0.41) MMEECE1AGTR2
SCHEMBL8923644 0.83 ECE1 (0.44) ACACBPOLBRAB9ANPC1NR1H4
SCHEMBL8923661 0.83 ECE1 (0.44) ACACBPOLBRAB9ANPC1NR1H4
SCHEMBL8921341 0.83 ECE1 (0.49) MMEECE1AGTR2
SCHEMBL8922286 0.80 MME (0.42) XDHMMEECE1AGTR2
SCHEMBL8922640 0.78 MME (0.41) XDHMMEECE1AGTR2
SCHEMBL8920411 0.74 ROCK2 (0.38) MMEECE1AGTR2
SCHEMBL12481327 0.74 MME (0.43) MMEECE1AGTR2
SCHEMBL8920292 0.69 ECE1 (0.35) POLBGAAMMEECE1AGTR2
SCHEMBL7150536 0.65 SLC6A4 (0.37) ACACBCYP1A2CYP2D6CYP2C19

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-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed