SCHEMBL18869722

SCHEMBL18869722

Cc1ccc(C(=O)c2ccc(OC(=O)Oc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.68
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
USP2 O75604 1/20 0.56
SRD5A2 P31213 1/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
AKR1C3 P42330 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL4389431 0.91 ELANE (0.74) ELANEALDH1A1SRD5A2MEN1NPC1
SCHEMBL16721011 0.89 ELANE (0.71) ELANEALDH1A1SRD5A2MEN1NPC1
SCHEMBL97469 0.87 USP2 (0.60) ELANELMNAALDH1A1USP2CES2
SCHEMBL6425454 0.85 SRD5A2 (0.67) ELANELMNAALDH1A1SRD5A2CES2
Benzophenone SCHEMBL16721021 0.85 ELANE (0.64) ELANEALDH1A1SRD5A2MEN1NPC1
Benzophenone SCHEMBL5162782 0.84 ALDH1A1 (0.80) ELANELMNAALDH1A1SRD5A2CES2
SCHEMBL259065 0.84 ALDH1A1 (0.80) ELANELMNAALDH1A1SRD5A2CES2
SCHEMBL235 0.84 ALDH1A1 (0.80) ELANELMNAALDH1A1SRD5A2CES2
SCHEMBL10877169 0.84 ALDH1A1 (0.80) ELANELMNAALDH1A1SRD5A2CES2
SCHEMBL1598717 0.84 ELANE (0.70) ELANELMNAALDH1A1SRD5A2CES2

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-2935398-B1 BLENDS CONTAINING PHOTOACTIVE ADDITIVES SABIC GLOBAL TECHNOLOGIES BV (NL) 2017-05-17 EP disclosed