SCHEMBL9757323

SCHEMBL9757323

CC#CCOc1ccccc1.CCN(CC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ADAM17 P78536 12/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MMP13 P45452 7/20 0.45
▸ MMP9 P14780 6/20 0.45
▸ MMP1 P03956 6/20 0.45
▸ TRPM8 Q7Z2W7 2/20 0.44
▸ MMP2 P08253 4/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP14 P50281 2/20 0.41
▸ TSPO P30536 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
SCHEMBL6265267 0.82 KCNH2 (0.55) LMNAADAM17MMP13MMP9MMP1
SCHEMBL9338770 0.82 KCNH2 (0.55) LMNAADAM17MMP13MMP9MMP1
SCHEMBL11651549 0.75 LTA4H (0.68) NPC1LMNAALOX15TSHRMAPK1
SCHEMBL6661575 0.72 ALOX15 (0.55) ALOX15TSHRADAM17MMP13MMP9
SCHEMBL1503527 0.72 PKM (0.53) NPC1ALOX15TSHRMAPK1HSD17B10
SCHEMBL15274643 0.72 ADAM17 (0.58) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL15863438 0.71 KCNH2 (0.49) ALOX15ADAM17RAB9A
SCHEMBL19543263 0.71 LMNA (0.56) LMNAHSD17B10
Naphthalene SCHEMBL28433021 0.70 LMNA (0.57) NPC1LMNATSHRMAPK1RAB9A
SCHEMBL23425517 0.70 ADAM17 (0.50) ADAM17MMP13MMP9MMP1MMP2

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
JP-3206070-A — — None — — JP disclosed
JP-H03206070-A PHENOXYALKYNE CARBAMATE DERIVATIVE AND HERBICIDE CONTAINING SAME DERIVATIVE CENTRAL GLASS CO LTD 1991-09-09 — — JP disclosed
Send feedback