SCHEMBL9508989

SCHEMBL9508989

C=CC(CC(=O)C(C)NC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 3/20 0.38
MMP13 P45452 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ANPEP P15144 1/20 0.36
ECE1 P42892 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTRB1 P17538 2/20 0.35

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
SCHEMBL9504958 0.88 NPC1 (0.37) MMENPC1RAB9ALTA4HMMP13
SCHEMBL9508990 0.77 ATM (0.50) NPSR1MEN1KMT2A
SCHEMBL27866632 0.73 EPHX1 (0.46) MMEMMP13
SCHEMBL10600082 0.73 CPA3 (0.55) MMELTA4HMMP13
SCHEMBL10596768 0.73 ABCB1 (0.46) NPC1RAB9AKMT2ACTRB1
SCHEMBL9508444 0.71 KLK5 (0.53) MEN1KMT2A
SCHEMBL9037241 0.70 KCNN4 (0.45) LTA4HMEN1KMT2A
SCHEMBL11128706 0.70 KCNN4 (0.45) LTA4HMEN1KMT2A
SCHEMBL10901575 0.70 KCNN4 (0.45) LTA4HMEN1KMT2A
SCHEMBL9504934 0.69 ALDH1A1 (0.37) NPSR1MEN1KMT2A

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
EP-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 EP disclosed
WO-1993004080-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY JAPAN TOBACCO INC. (JP) 1993-03-04 WO disclosed