SCHEMBL8429159

SCHEMBL8429159

CC(C)COC(=O)N(N)[C@](C(=O)O)(C(=C=O)c1ccccc1)c1cccc(NC=NN)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.31
KAT6A Q92794 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSL P07711 1/20 0.30

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
SCHEMBL8431037 0.91 DHODH (0.37) ALDH1A1HPGDRAB9AMAPTKMT2A
SCHEMBL8429040 0.89 P2RX1 (0.34) ALDH1A1CTSL
SCHEMBL8430960 0.89 MAPT (0.35) ALDH1A1HPGDRAB9AMAPTKMT2A
SCHEMBL8431235 0.89 RXFP1 (0.32) RAB9AMAPTKMT2A
SCHEMBL8428895 0.87 TRPV4 (0.35) MAPTKMT2A
SCHEMBL8429055 0.87 TRPV4 (0.35) MAPTKMT2A
SCHEMBL8432441 0.85 KMT2A (0.32) RAB9AKMT2A
SCHEMBL8432891 0.84 DHODH (0.36) ALDH1A1HPGDRAB9AMAPTKMT2A
SCHEMBL8431435 0.84 CA1 (0.32) ALDH1A1RAB9AMAPTKMT2A
SCHEMBL8431423 0.83 DHODH (0.34) NR1H4ALDH1A1RAB9AMAPTKMT2A

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US claimed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed