SCHEMBL8564778

SCHEMBL8564778

Cc1c(Cc2ccc(C(=O)O)c(O)c2C)ccc(C(=O)O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SELL P14151 1/20 0.47
SELP P16109 1/20 0.47
HMGB1 P09429 3/20 0.44
CXCL12 P48061 2/20 0.44
PTPN1 P18031 3/20 0.43
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LDHA P00338 1/20 0.40
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MYC P01106 1/20 0.39
ALB P02768 1/20 0.38

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
SCHEMBL4616605 0.88 PTPN1 (0.55) ALDH1A1HPGDHSD17B10KDM4EPTPN1
SCHEMBL8572337 0.85 GRM1 (0.47) GRM1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL26095722 0.83 CYP1A2 (0.42) GRM1ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL6293508 0.83 GRM1 (0.50) GRM1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL9328643 0.81 SELL (0.58) ALDH1A1HPGDHSD17B10KDM4ESELL
SCHEMBL30463104 0.77 SELL (0.64) GRM1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL317576 0.77 ALDH1A1 (0.57) GRM1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL565454 0.77 SELL (0.64) GRM1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30149140 0.77 ALDH1A1 (0.57) GRM1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8041465 0.75 KDM4E (0.61) ALDH1A1HPGDHSD17B10KDM4EHMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795927-A BLEND CONTAINING COLOR STABILIZER MORTON INTERNATIONAL, INC. (US) 1998-08-18 US claimed
US-5795927-A BLEND CONTAINING COLOR STABILIZER MORTON INTERNATIONAL, INC. (US) 1998-08-18 US disclosed