SCHEMBL19002938

SCHEMBL19002938

ClCc1ccccc1-c1cc(CCl)c(-c2ccccc2CCl)cc1CCl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.36
PNMT P11086 1/20 0.36
IDO1 P14902 1/20 0.36
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL736614 0.89 DPP4 (0.46) DPP4AURKAAURKBALDH1A1TSHR
SCHEMBL10896807 0.87 DPP4 (0.44) DPP4AURKAAURKBALDH1A1TSHR
SCHEMBL19002950 0.82 CSNK2A2 (0.38) DPP4AURKAAURKBALDH1A1TSHR
SCHEMBL30023409 0.82 CSNK2A2 (0.38) DPP4AURKAAURKBALDH1A1TSHR
SCHEMBL31454259 0.78 DPP4 (0.41) DPP4AURKAAURKBALDH1A1TSHR
SCHEMBL1538745 0.78 DPP4 (0.39) DPP4AURKAAURKBALDH1A1TSHR
SCHEMBL9456872 0.77 DPP4 (0.50) DPP4AURKAAURKBALDH1A1TSHR
SCHEMBL258354 0.76 PTGER4 (0.49) DPP4AURKAAURKBALDH1A1TSHR
SCHEMBL29265422 0.76 DPP4 (0.50) DPP4ALDH1A1TSHRKMT2A
SCHEMBL8108088 0.76 TAAR1 (0.41) DPP4ALDH1A1TSHRKMT2AIDO1

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
EP-3507269-B1 STABLE HYDROFORMYLATION CATALYST FOR PREPARATION OF HIGH N/ISO RATIO ALDEHYDE PRODUCT EASTMAN CHEM CO (US) 2020-09-23 EP disclosed
US-9687837-B1 Stable hydroformylation catalyst for preparation of high N/Iso ratio aldehyde product EASTMAN CHEMICAL COMPANY (US) 2017-06-27 US disclosed