SCHEMBL11038698

SCHEMBL11038698

CCCCCCCc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALOX15 P16050 1/20 0.52
TLR8 Q9NR97 5/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
DHODH Q02127 1/20 0.48
BID P55957 3/20 0.48
MCL1 Q07820 3/20 0.48
BCL2L1 Q07817 2/20 0.48
BAK1 Q16611 2/20 0.48

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
SCHEMBL28623461 0.98 ALOX15 (0.54) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL30744751 0.88 KDM4E (0.59) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL28308942 0.86 PLA2G2A (0.49) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL30744791 0.84 ALOX15 (0.61) KDM4EALDH1A1HPGDHSD17B10ALOX15
Phthalic Acid SCHEMBL28229283 0.83 DHODH (0.56) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL11038406 0.82 BID (0.46) KDM4EUSP2ALDH1A1GLACYP3A4
Phthalic Acid SCHEMBL28034650 0.82 DHODH (0.55) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL6080305 0.82 BID (0.56) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL472714 0.82 CYP3A4 (0.59) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL6602488 0.81 TLR8 (0.47) KDM4EUSP2ALDH1A1GLACYP3A4

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
EP-0124577-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-14 EP disclosed
WO-1984001947-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 WO disclosed