SCHEMBL10679447

SCHEMBL10679447

CC1=C(C2CCCCC2)C(=O)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
NR1I2 O75469 1/20 0.33
KDM4B O94953 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
DOHH Q9BU89 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
LIPE Q05469 2/20 0.31
CEL P19835 1/20 0.31
KMO O15229 1/20 0.30
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL6238652 0.84 KMT2A (0.36) KMT2ACELKMOPTPRCPTPRF
SCHEMBL304318 0.82 CEL (0.33) KMT2ACA1CA2CA4CEL
SCHEMBL14620427 0.80 CEL (0.33) KMT2ANR1I2KDM4BCHRM1TBXA2R
SCHEMBL20298395 0.75 CEL (0.38) KMT2ACELKMOPTPRCPTPRF
SCHEMBL2647824 0.75 TSHR (0.31)
SCHEMBL11869833 0.75 ADCY1 (0.33) KMT2A
SCHEMBL304105 0.75 PTPN1 (0.34) KMT2APTPRCPTPRFPTPN1CDC25B
SCHEMBL304118 0.72 PTPN1 (0.33) PTPRCPTPRFPTPN1CDC25B
SCHEMBL306205 0.72 ADCY1 (0.31)
SCHEMBL346764 0.71 TSHR (0.35)

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
US-4726835-A Herbicidal and plant growth regulating imidazoline derivatives IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-02-23 US disclosed
EP-0227967-A2 Imidazoline derivatives, process for preparing same, herbicide containing same, and plant growth regulator containing same IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-08 EP disclosed