SCHEMBL28053724

SCHEMBL28053724

CCC(c1ccccc1)C(c1ccccc1)C(C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.47
PDPK1 O15530 2/20 0.45
LMNA P02545 5/20 0.44
HSD17B10 Q99714 1/20 0.44
MME P08473 2/20 0.42
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10441680 0.86 PDPK1 (0.53) HKDC1PDPK1LMNAHSD17B10CYP2D6
SCHEMBL28053710 0.86 PDPK1 (0.43) PDPK1LMNAMMECYP2D6SRC
SCHEMBL11206738 0.82 HKDC1 (0.53) HKDC1LMNAHSD17B10CYP2D6
SCHEMBL5880392 0.81 HKDC1 (0.47) HKDC1PDPK1LMNAHSD17B10CYP2D6
SCHEMBL28053841 0.81 CYP3A4 (0.41) HKDC1PDPK1LMNAHSD17B10MME
SCHEMBL1083717 0.81 HKDC1 (0.50) HKDC1LMNAHSD17B10MMECYP2D6
SCHEMBL1452589 0.80 SRC (0.56) PDPK1LMNACYP2D6SRCKMT2A
SCHEMBL7212425 0.77 MMP8 (0.50) HKDC1PDPK1MEN1KMT2A
SCHEMBL4611469 0.77 CYP2D6 (0.61) HKDC1LMNAHSD17B10CYP2D6SRC
SCHEMBL4612358 0.77 CYP2D6 (0.61) HKDC1LMNAHSD17B10CYP2D6SRC

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
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed