SCHEMBL9192584

SCHEMBL9192584

CC1CC=C(C(C)C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.37
GABRR1 P24046 2/20 0.34
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRB3 P13945 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
AKR1C3 P42330 1/20 0.32
NR1I3 Q14994 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CXCL8 P10145 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL466694 0.73
SCHEMBL24471525 0.72
SCHEMBL1784979 0.72
SCHEMBL24471530 0.72 ALDH1A1 (0.40) GABRR1LMNACYP2C9
SCHEMBL9193357 0.71 TP53 (0.30) CCR2
SCHEMBL9623341 0.65 PTGS1 (0.36) PTGS2PTGS1
SCHEMBL22832148 0.65 FFAR1 (0.33) CCR2LMNACYP2C9
SCHEMBL22832150 0.65 FFAR1 (0.33) CCR2LMNACYP2C9
SCHEMBL988375 0.64 PTGS1 (0.39) PTGS2PTGS1LMNAALBESR1
SCHEMBL13924886 0.64 GABRR1 (0.43) GABRR1LMNA

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-0167265-B1 Method of repelling insects COULSTON INT CORP (US) 1995-12-20 EP disclosed
EP-0666027-A1 Method of repelling insects COULSTON INTERNATIONAL CORPORATION (US) 1995-08-09 EP disclosed
US-4663346-A Insect repellent ANGUS CHEMICAL COMPANY (US) 1987-05-05 US disclosed
EP-0167265-A1 Method of repelling insects COULSTON INTERNATIONAL CORPORATION (US) 1986-01-08 EP disclosed