SCHEMBL10368365

SCHEMBL10368365

CCOC(=O)Cn1c(C)nc2cc(C)c(C)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ TSHR P16473 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ MAPT P10636 5/20 0.47
▸ DCTPP1 Q9H773 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 3/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ AR P10275 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43

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
SCHEMBL16421959 0.79 KDM4E (0.73) KDM4EHSD17B10TSHRCYP1A2MAPT
SCHEMBL29778192 0.79 CYP1A2 (0.45) KDM4EHSD17B10TSHRCYP1A2MAPT
SCHEMBL28778207 0.79 CYP1A2 (0.45) KDM4EHSD17B10TSHRCYP1A2MAPT
SCHEMBL16806057 0.76 CYP1A2 (0.60) KDM4ETSHRCYP1A2MAPTDCTPP1
SCHEMBL10373913 0.71 CYP1A2 (0.64) KDM4EHSD17B10TSHRCYP1A2MAPT
SCHEMBL13373744 0.70 KDM4E (0.43) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL13318998 0.70 ALDH1A1 (0.52) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL16806042 0.69 MAPT (0.62) KDM4ETSHRCYP1A2MAPTDCTPP1
SCHEMBL13566437 0.69 FAAH (0.53) TSHRCYP1A2MAPTDCTPP1KMT2A
SCHEMBL13373746 0.69 KDM4E (0.47) KDM4ECYP1A2MAPTALDH1A1HPGD

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
EP-0266989-B1 DIHYDROPYRIDINE ANTI-ALLERGIC AND ANTI-INFLAMMATORY AGENTS Pfizer Limited (GB) 1990-07-04 — — EP disclosed
US-4801598-A Dihydropyridine anti-allergic and anti-inflammatory agents PFIZER INC. (US) 1989-01-31 — — US disclosed
EP-0266989-A2 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-05-11 — — EP disclosed
Send feedback