SCHEMBL8041143

SCHEMBL8041143

CCCCC(CO)(OC(=O)c1ccc(O)cc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR2 Q92731 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL23040641 0.93 ESR1 (0.42) ESR1LMNATSHRCYP1A2CYP2D6
SCHEMBL7539618 0.77 NSD2 (0.48) ESR1LMNATDP1
SCHEMBL7114343 0.77 LMNA (0.45) ESR1LMNATSHRCYP1A2CYP2D6
SCHEMBL30362784 0.74 CES2 (0.47) LMNATSHRCYP1A2CYP2D6MAPK1
SCHEMBL28567745 0.70 ESR1 (0.49) ESR1LMNATSHRCYP1A2CYP2D6
SCHEMBL6247410 0.70 LTA4H (0.37) ESR1LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9418697 0.70 LTA4H (0.37) ESR1LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL27950258 0.69 ESR1 (0.53) ESR1NR1H2ALDH1A1ESR2
SCHEMBL11857321 0.69 LTA4H (0.36) ESR1LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL28416372 0.69 CYP2D6 (0.46) LMNATSHRCYP1A2CYP2D6MAPK1

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
WO-2000074636-A1 METHODS FOR TREATING SKIN WITH 3-HYDROXY BENZOIC ACID AND RELATED COMPOSITIONS REVLON CONSUMER PRODUCTS CORPORATION (US) 2000-12-14 WO disclosed