Paraben

Paraben

SCHEMBL2591112

NC(=O)NN1CCNC1.O=C(O)c1ccc(O)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
SRD5A2 P31213 1/20 0.41
OPRD1 P41143 2/20 0.39
LMNA P02545 1/20 0.35
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PEPD P12955 1/20 0.33
TP53 P04637 1/20 0.33

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
Methylparaben SCHEMBL2859805 0.85 CA1 (0.51) CA2CA12CA1CA7CA9
Methylparaben SCHEMBL4757750 0.84 CA1 (0.50) CA2CA12CA1CA7CA9
Cetylpyridinium SCHEMBL28109428 0.81 HSP90AA1 (0.40) DRD1LMNATSHRMAPTBLM
SCHEMBL34371 0.80
Propylparaben SCHEMBL2591109 0.80 ALDH1A1 (0.56) CA2CA12CA1CA7CA9
SCHEMBL7527875 0.78 GNAI3 (0.34) CA2CA12CA1CA9
SCHEMBL27888790 0.78 GNAI3 (0.34) CA2CA12CA1CA9
Ammonia Solution, Strong SCHEMBL28242181 0.78 GNAI3 (0.34) CA2CA12CA1CA9
Urea SCHEMBL6942842 0.78 GNAI3 (0.34) CA2CA12CA1CA9
SCHEMBL28189279 0.78 GNAI3 (0.34) CA2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125880-B1 COMBINATION OF ADAPALENE AND BENZOYL PEROXIDE FOR PREVENTING ACNE SCARS GALDERMA RES & DEV (FR) 2019-11-20 EP disclosed
EP-2563357-B1 ADAPALENE 0.3% FOR USE IN A METHOD FOR TREATING SCARS GALDERMA RES & DEV (FR) 2018-10-17 EP disclosed
US-20180214401-A1 METHOD FOR TREATING SCARS WITH ADAPALENE 0.3% GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-08-02 US disclosed
EP-3125880-A1 COMBINATION OF ADAPALENE AND BENZOYL PEROXIDE FOR TREATING ACNE SCARS Galderma Research & Development (FR) 2017-02-08 EP disclosed
US-20170020833-A1 METHOD FOR TREATING AND/OR PREVENTING ACNE SCARS WITH A FIXED COMBINATION OF ADAPALENE OR ITS SALTS AND BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-01-26 US disclosed
CN-103781477-B Antibacterial or the anticorrosive composite that comprises 3-butoxy-1,2-PD LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2016-05-25 CN disclosed
WO-2015150332-A1 COMBINATION OF ADAPALENE AND BENZOYL PEROXIDE FOR TREATING ACNE SCARS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-10-08 WO disclosed
US-20130203850-A1 METHOD FOR TREATING SCARS WITH ADAPALENE 0.3% GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-08 US disclosed
EP-2563357-A1 METHOD FOR TREATING SCARS WITH ADAPALENE 0.3% Galderma Research & Development (FR) 2013-03-06 EP disclosed
WO-2011135090-A1 METHOD FOR TREATING SCARS WITH ADAPALENE 0.3% GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-03 WO disclosed