SCHEMBL29358263

SCHEMBL29358263

C=C(Cc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
DPP4 P27487 1/20 0.47
FOLH1 Q04609 1/20 0.46
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
BCAT2 O15382 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR7 P34969 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
SCHEMBL867318 1.00 KMT2A (0.53) KMT2ADPP4FOLH1PTGER1PTGER4
SCHEMBL8084755 0.93 KMT2A (0.46) KMT2ADPP4FOLH1PTGER1PTGER4
Biphenyl SCHEMBL30213459 0.92 KMT2A (0.46) KMT2ADPP4FOLH1PTGER1PTGER4
SCHEMBL11467086 0.90 AKR1B1 (0.42) KMT2AFOLH1PTGER1PTGER4PTGER3
SCHEMBL244854 0.86 FOLH1 (0.45) KMT2ADPP4FOLH1PTGER1PTGER4
SCHEMBL8746636 0.84 AKR1B1 (0.46) KMT2AFOLH1LMNABCAT2PTGS1
Biphenyl SCHEMBL29634414 0.83 KMT2A (0.39) KMT2AFOLH1PTGER1PTGER4PTGER3
SCHEMBL15732948 0.82 PTGER4 (0.55) KMT2ADPP4FOLH1PTGER1PTGER4
SCHEMBL25274876 0.81 PPARA (0.43) KMT2AFFAR1FFAR4PPARGPPARA
SCHEMBL31017180 0.81 KMT2A (0.56) KMT2ADPP4FOLH1PTGER1PTGER4

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-3444028-B1 METHODS FOR PRODUCING THREE-DIMENSIONAL ORDERED POROUS MICROSTRUCTURE AND MONOLITHIC COLUMN PRODUCED THEREBY TANTTI LABORATORY INC (TW) 2022-01-26 EP claimed