SCHEMBL19443264

SCHEMBL19443264

CC/C=C(/CCN)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
EPHX1 P07099 1/20 0.39
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
FAAH O00519 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
AKR1B1 P15121 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL19562056 0.93 DNM1 (0.35) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL31520439 0.89 CES2 (0.43) MEN1KMT2AALDH1A1TSHRSPHK2
SCHEMBL4957610 0.86 CES2 (0.46) MEN1KMT2AALDH1A1TSHRSPHK2
SCHEMBL18432592 0.85 FAAH (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL22701117 0.84 DNM1 (0.40) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL20355780 0.84
SCHEMBL6057024 0.83 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11790531 0.82 CES2 (0.42) MEN1KMT2AALDH1A1TSHRSPHK2
SCHEMBL31520438 0.81 CES1 (0.41) ALDH1A1TSHRCES2CES1TP53
SCHEMBL15971609 0.79 CES2 (0.40) MEN1KMT2AALDH1A1TSHRSPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3228325-A1 PROTEIN-POLYMER-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2017-10-11 EP disclosed