SCHEMBL10949035

SCHEMBL10949035

O=C(O)C=CCc1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
FOLH1 Q04609 1/20 0.49
PTGER4 P35408 5/20 0.47
PTGER3 P43115 5/20 0.47
PTGER2 P43116 5/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
DPP4 P27487 1/20 0.46
SLC22A12 Q96S37 5/20 0.42
GPR52 Q9Y2T5 1/20 0.42
PTGER1 P34995 3/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
BCAT2 O15382 1/20 0.39

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
SCHEMBL9247589 0.86 KMT2A (0.49) KMT2AFOLH1PTGER4PTGER3PTGER2
SCHEMBL10451654 0.85 PTGER4 (0.56) KMT2APTGER4PTGER3PTGER2ALDH1A1
SCHEMBL11063801 0.80 GPR52 (0.48) KMT2AFOLH1PTGER4PTGER3PTGER2
SCHEMBL8717020 0.79 DPP4 (0.50) KMT2AFOLH1PTGER4PTGER3PTGER2
SCHEMBL1006202 0.78 AKR1B1 (0.53) KMT2APTGER4PTGER3PTGER2MEN1
SCHEMBL28743677 0.78 AKR1B1 (0.53) KMT2APTGER4PTGER3PTGER2MEN1
SCHEMBL8698401 0.76 GPR52 (0.51) KMT2APTGER4PTGER3PTGER2ALDH1A1
SCHEMBL8698403 0.76 GPR52 (0.51) KMT2APTGER4PTGER3PTGER2ALDH1A1
SCHEMBL6361489 0.76 FOLH1 (0.50) FOLH1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL27623546 0.76 PTGER4 (0.49) KMT2APTGER4PTGER3PTGER2ALDH1A1

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
US-4537906-A Substituted phenylalkenoic acids and esters MERCK FROSST CANADA, INC. (CA) 1985-08-27 US disclosed