SCHEMBL11729149

SCHEMBL11729149

COC(=O)CCCC#CCN(CCCC(COc1ccc(Cl)cc1Cl)OC(C)=O)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HPGD P15428 6/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TSHR P16473 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 2/20 0.34

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
SCHEMBL11728373 0.90 PPARG (0.38) MAPTCYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL11729141 0.84 MAPT (0.48) MAPTCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL11730769 0.82 PPARG (0.35) —
SCHEMBL11732630 0.82 POLB (0.40) ALDH1A1MAPK1LMNATSHR
SCHEMBL11733730 0.82 PPARG (0.33) MAPTKMT2ASMN1; SMN2
SCHEMBL11731811 0.81 POLB (0.39) MAPTALDH1A1MAPK1HPGDLMNA
SCHEMBL11729365 0.81 POLB (0.34) MAPT
SCHEMBL11732066 0.81 PPARG (0.34) —
SCHEMBL11730361 0.81 PPARG (0.34) ALDH1A1
SCHEMBL11725992 0.81 ALDH1A1 (0.34) MAPTALDH1A1LMNAKMT2ARAB9A

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
US-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
Send feedback