SCHEMBL6837007

SCHEMBL6837007

NC(O)(O)C(Oc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 13/20 0.40
PPARA Q07869 11/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37
SLC1A3 P43003 1/20 0.37

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
SCHEMBL7037791 0.78 ATM (0.47) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1577777 0.78 CYP1A2 (0.46) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5503297 0.74 EDNRB (0.44) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL28295630 0.73 ALDH1A1 (0.39) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL2046224 0.73 ALOX15 (0.44) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7322928 0.72 ATM (0.49) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL8695089 0.72 ATM (0.45) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL28157165 0.72 PARP10 (0.39) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL17847375 0.72 ALOX15 (0.43) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL530392 0.72 ALDH1A1 (0.42) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178783-B1 DEVICE AND USE FOR INCREASING THE TRANSDERMAL PERMEATION OF MEDICAMENTS LOHMANN THERAPIE SYST LTS (DE) 2004-04-21 EP claimed
US-20040208918-A1 Device for and method of increasing the transdermal permeation of drugs KOCH ANDREAS 2004-10-21 US disclosed
US-6756052-B1 EFFECTS LOCALIZED INCREASE IN TEMPERATURE AND/OR BLOOD FLOW USING RUBEFACIENT AGENT LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2004-06-29 US disclosed