SCHEMBL6909155

SCHEMBL6909155

O=C(O)C=CCN(C(=O)c1ccccc1O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
PDK1 Q15118 1/20 0.45
TP53 P04637 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 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
SCHEMBL6908305 0.87 KDM4E (0.47) TSHRPDK1TP53KDM4EALDH1A1
SCHEMBL6909358 0.79 KMT2A (0.48) TSHRPDK1ALDH1A1HPGDMEN1
SCHEMBL7927019 0.76 MEN1 (0.48) TSHRPDK1TP53CA1CA2
SCHEMBL6909361 0.75 MEN1 (0.47) TSHRKDM4EALDH1A1HPGDMEN1
SCHEMBL6911488 0.72 KMT2A (0.47) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL4214602 0.71 HCAR2 (0.41) TSHRCA1CA2CA4ALDH1A1
SCHEMBL9051702 0.71 NPC1 (0.57) TSHRPDK1TP53KDM4EALDH1A1
SCHEMBL28081508 0.70 HPGD (0.56) TSHRTP53CA1CA2CA4
SCHEMBL14398135 0.69 ALDH1A1 (0.47) TSHRPDK1TP53ALDH1A1SMN1; SMN2
SCHEMBL27774828 0.69 HPGD (0.54) TSHRTP53CA1CA2CA4

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
US-6699830-B1 CROSSLINKED PRODUCT OF COPOLYMER COMPRISING POLYMERIZED UNITS OF UNSATURATED MONOCARBOXYLIC ACID MONOMER AND QUINONE; ABSORBENT RESIN IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1086959-A1 CROSSLINKED COPOLYMER OF UNSATURATED CARBOXYLIC ACID AND PROCESS FOR PRODUCING THE SAME, COPOLYMER OF UNSATURATED CARBOXYLIC ACID, BIODEGRADABLE BUILDER, AND DETERGENT COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-28 EP disclosed