SCHEMBL28812975

SCHEMBL28812975

Cc1ccc(Cl)c(O)c1C.Cc1ccc(Cl)c(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 4/20 0.36
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 2/20 0.35
CHRM1 P11229 1/20 0.35
MAOA P21397 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL34164 1.00 DPP4 (0.39) DPP4TRPA1ATMALDH1A1TDP1
Alcohol SCHEMBL28660521 0.91 DPP4 (0.34) DPP4TRPA1ATMALDH1A1TDP1
SCHEMBL1362999 0.87 TRPA1 (0.40) DPP4TRPA1ATMALDH1A1TDP1
Phenol SCHEMBL7149052 0.87 TDP1 (0.44) DPP4TRPA1ATMALDH1A1TDP1
SCHEMBL10340010 0.87 GAA (0.32) DPP4TRPA1ATMALDH1A1TDP1
Chloroxylenol SCHEMBL383630 0.85 CYP3A4 (0.61) ALDH1A1CYP3A4HSD17B10ALOX15CHRM1
SCHEMBL1867458 0.85 TRPA1 (0.65) TRPA1ATMALDH1A1TDP1POLB
SCHEMBL11699414 0.83 DPP4 (0.42) DPP4ALDH1A1TDP1RECQLCYP3A4
SCHEMBL6841578 0.81 ALDH1A1 (0.46) DPP4TRPA1ALDH1A1TDP1CYP3A4
Propionic Acid SCHEMBL7999417 0.81 DPP4 (0.36) DPP4ALDH1A1TDP1POLBRECQL

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
CN-118338914-A Compositions comprising amino lipid compounds and methods of making and using the same 俄亥俄州创新基金会 2024-07-12 CN disclosed
CN-104010619-A Antimicrobial preservative compositions for personal care products GALAXY SURFACTANTS LTD 2014-08-27 CN disclosed