SCHEMBL11520153

SCHEMBL11520153

CCCCCc1ccc(-c2c(C(=O)O)ccc(C(=O)O)c2-c2ccc(CCCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.67
RARA P10276 2/20 0.67
RARG P13631 1/20 0.67
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
MTOR P42345 1/20 0.64
KMT2A Q03164 1/20 0.64
PPARA Q07869 2/20 0.60
KAT8 Q9H7Z6 2/20 0.56
PPARG P37231 1/20 0.56
PLK1 P53350 2/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52

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
SCHEMBL3275839 0.98 RARB (0.69) RARBRARARARGALDH1A1MEN1
SCHEMBL11811033 0.98 RARB (0.69) RARBRARARARGALDH1A1MEN1
SCHEMBL6914445 0.87 RARB (0.67) RARBRARARARGALDH1A1MEN1
SCHEMBL11815595 0.86 RARB (0.59) RARBRARARARGALDH1A1MEN1
SCHEMBL6269146 0.84 RARB (0.64) RARBRARARARGALDH1A1MEN1
SCHEMBL6883429 0.83 RARB (0.59) RARBRARARARGALDH1A1MEN1
SCHEMBL10789474 0.83 RARB (0.58) RARBRARARARGALDH1A1MEN1
SCHEMBL4908288 0.83 RARB (0.66) RARBRARARARGALDH1A1MEN1
SCHEMBL27892577 0.82 RARB (0.58) RARBRARARARGALDH1A1MEN1
Phthalic Acid SCHEMBL28280715 0.82 RARB (0.71) RARBRARARARGALDH1A1MEN1

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-4147656-A BIS(4'-N-OCTYLOXYBENZAL)-2-CHLORO-1,4-PHENYLENEDIAMINE, A SCHIFF BASE, \"LICRISTAL 9\ ITEK CORPORATION (US) 1979-04-03 US disclosed
US-4090975-A BIS(4'-N-OCTYLOXYBENZAL)-2-CHLORO-1, 4-PHENYLENEDIAMINE ITEK CORPORATION (US) 1978-05-23 US disclosed