SCHEMBL18530461

SCHEMBL18530461

C=C(C)C(=O)Oc1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.81
HSD17B10 Q99714 1/20 0.59
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SRD5A2 P31213 7/20 0.52
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 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
SCHEMBL346685 0.95 ELANE (0.72) ELANEHSD17B10POLBAPEX1HTT
SCHEMBL15064112 0.93 ELANE (0.86) ELANEHSD17B10KMT2AATM
SCHEMBL144013 0.90 ELANE (1.00) ELANEPOLBHTTSRD5A2KMT2A
Benzoic Acid SCHEMBL22609156 0.90 ELANE (0.81) ELANEHSD17B10POLBAPEX1HTT
SCHEMBL19133742 0.90 HSD17B10 (0.69) ELANEHSD17B10POLBAPEX1HTT
SCHEMBL13409755 0.88 ELANE (0.64) ELANEHSD17B10POLBAPEX1HTT
Hydroquinone SCHEMBL28395727 0.88 ELANE (0.64) ELANEHSD17B10POLBAPEX1HTT
SCHEMBL18530459 0.88 ELANE (0.78) ELANEHSD17B10POLBAPEX1HTT
Butanedione SCHEMBL28306363 0.87 ELANE (0.94) ELANEPOLBHTTSRD5A2KMT2A
SCHEMBL15908309 0.86 ELANE (0.76) ELANEHSD17B10SRD5A2KMT2AATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010268-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS ARROW INTERNATIONAL, INC. (US) 2019-01-10 US disclosed
EP-3334767-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS Arrow International, Inc. (US) 2018-06-20 EP disclosed
WO-2017030950-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS ARROW INTERNATIONAL, INC. (US) 2017-02-23 WO disclosed
WO-2017030950-A1 PHOTOACTIVATABLE FOULING-RESISTANT COPOLYMERS ARROW INTERNATIONAL, INC. (US) 2017-02-23 WO disclosed