SCHEMBL9400007

SCHEMBL9400007

CCCC(CSCc1ccccc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
MMP8 P22894 1/20 0.44
PIN1 Q13526 1/20 0.42
METAP2 P50579 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
CYP2C19 P33261 2/20 0.40
CA2 P00918 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP1A2 P05177 1/20 0.39
PPID Q08752 1/20 0.39
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38

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
SCHEMBL9788141 0.85 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1RECQL
SCHEMBL4098649 0.81 MMP8 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1RECQL
SCHEMBL9204947 0.80 MMP8 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1RECQL
SCHEMBL28653958 0.80 ALDH1A1 (0.50) NPC1RAB9AALDH1A1RECQLMMP8
SCHEMBL7616395 0.80 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1RECQLMMP8PIN1
SCHEMBL8233844 0.79 MMP8 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1RECQL
SCHEMBL29256551 0.78 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1RECQLMMP8PIN1
SCHEMBL7613025 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1RECQLMMP8PIN1
SCHEMBL7614875 0.76 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1RECQLMMP8PIN1
SCHEMBL21747501 0.75 NPSR1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371075-A Pesticides ROUSSEL-UCLAF (FR) 1994-12-06 US disclosed
US-5157029-A Insecticides, miticides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-10-20 US disclosed
US-5057508-A Bicyclo(2-2-1)octanes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-10-15 US disclosed
US-4965257-A INSECTICIDES, ACARICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-10-23 US disclosed
EP-0216624-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-04-01 EP disclosed