SCHEMBL9712657

SCHEMBL9712657

CCCOc1cccc(OCCC)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
CA9 Q16790 2/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
ALDH1A1 P00352 2/20 0.47
PPARA Q07869 2/20 0.46
PTPN1 P18031 2/20 0.46
MEN1 O00255 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2A6 P11509 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
PTK2B Q14289 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL13607858 0.93 CA12 (0.70) KMT2ACA9CA12CA1CA2
SCHEMBL28423316 0.91 CA12 (0.55) KMT2ACA9CA12CA1CA2
SCHEMBL2552794 0.90 KMT2A (0.51) KMT2ACA9CA12CA1CA2
SCHEMBL4959462 0.90 PTPN1 (0.55) KMT2ACA9CA12CA1CA2
SCHEMBL27051701 0.90 KMT2A (0.47) KMT2ACA9CA12CA1CA2
SCHEMBL20504730 0.88 PTPN1 (0.54) KMT2ACA9CA12CA1CA2
SCHEMBL10795237 0.88 CYP1A2 (0.49) KMT2ACA9CA12CA1CA2
SCHEMBL27051370 0.87 KMT2A (0.47) KMT2ACA9CA12CA1CA2
SCHEMBL1672245 0.84 CA12 (0.61) CA9CA12CA1CA2CA7
SCHEMBL23748636 0.83 CA12 (0.66) KMT2ACA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed