SCHEMBL7744335

SCHEMBL7744335

Cc1ccc(Cl)c(Cl)c1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.41
MAPK1 P28482 3/20 0.36
PTGS2 P35354 3/20 0.36
MEN1 O00255 2/20 0.36
TTR P02766 2/20 0.36
KMT2A Q03164 2/20 0.36
AKR1B10 O60218 1/20 0.36
ABCB11 O95342 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
FABP2 P12104 1/20 0.36
RXRA P19793 1/20 0.36
TBXA2R P21731 1/20 0.36
NR4A1 P22736 1/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
AKR1C3 P42330 1/20 0.36
NR4A2 P43354 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL8090741 0.83 DPP4 (0.48) ALDH1A1LMNAMAPK1PTGS2MEN1
SCHEMBL1313390 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1TTRKMT2A
SCHEMBL9712337 0.78 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1PTGS2MEN1
SCHEMBL9197919 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1TTRKMT2ACYP3A4
SCHEMBL1164172 0.75 ALDH1A1 (0.48) ALDH1A1LMNACLCN2DPP4KDM4E
SCHEMBL11674723 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4GAACYP1A2MAPT
SCHEMBL1312577 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRCYP1A2MAPT
SCHEMBL476833 0.74 ALDH1A1 (0.71) ALDH1A1LMNAKMT2ATDP1TYK2
SCHEMBL7961276 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1TTRCYP3A4DPP4
SCHEMBL28145603 0.74 SLC6A4 (0.45) ALDH1A1LMNAMAPK1KMT2ANR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5113016-A Manufacture of phthaloyl chlorides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-12 US claimed
US-6429334-B1 CATALYTIC REACTION OF ORGANIC ACID OR ANHYDRIDE AND PHOSGENE IN GROUP IV METAL HALIDE PRESENCE; CHLORINATION, BROMINATION, HALOGENATION, CATALYSIS E. I. DU PONT DE NEMOURS AND COMPANY 2002-08-06 US disclosed
US-5113016-A Manufacture of phthaloyl chlorides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-12 US disclosed