SCHEMBL11207414

SCHEMBL11207414

CC(C)CC(CCl)C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
CPA1 P15085 1/20 0.38
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
KISS1R Q969F8 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
ANPEP P15144 2/20 0.33
LAP3 P28838 2/20 0.33
MME P08473 3/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13035499 0.80 SLC1A3 (0.40) SLC1A3SLC1A2CPA1RNPEPSLC7A5
SCHEMBL7422303 0.76 MME (0.38) SLC1A3SLC1A2KISS1RTSHRMME
SCHEMBL818884 0.75 SLC1A3 (0.36) SLC1A3SLC1A2CPA1RNPEPSLC7A5
SCHEMBL11210934 0.74
SCHEMBL31595979 0.74
SCHEMBL819888 0.73 L3MBTL1 (0.36) SLC1A3SLC1A2CPA1RNPEPSLC7A5
SCHEMBL16884566 0.72 CPA1 (0.69) SLC1A3SLC1A2CPA1RNPEPKISS1R
SCHEMBL8194281 0.72 TDP1 (0.37) SLC1A3SLC1A2CPA1KISS1RALDH1A1
SCHEMBL9068636 0.72 CPB2 (0.39) SLC1A3SLC1A2CPA1RNPEPKISS1R
SCHEMBL6172552 0.70

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021766-B1 INHIBITORS OF MAMMALIAN COLLAGENASE E.R. Squibb & Sons, Inc. (US) 1983-02-09 EP disclosed
US-4297275-A Inhibitors of mammalian collagenase E. R. SQUIBB & SONS, INC. (US) 1981-10-27 US disclosed
EP-0021766-A2 Inhibitors of mammalian collagenase E.R. Squibb & Sons, Inc. (US) 1981-01-07 EP disclosed
US-4235885-A Inhibitors of mammalian collagenase E. R. SQUIBB & SONS, INC. (US) 1980-11-25 US disclosed