SCHEMBL9260962

SCHEMBL9260962

CCC(C(=O)O)c1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 7/20 0.40
AKR1C2 P52895 7/20 0.40
ALDH1A1 P00352 5/20 0.36
GAA P10253 3/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
KCNQ2 O43526 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PANK3 Q9H999 1/20 0.33
FFAR2 O15552 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 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
SCHEMBL5954013 0.77 LMNA (0.50) LMNAKMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL247637 0.75 LMNA (0.49) LMNAKMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL1400599 0.75 CTSA (0.39) AKR1C3AKR1C2ALDH1A1GAAAKR1C1
SCHEMBL1551107 0.74 KMT2A (0.56) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL11868268 0.74 LMNA (0.47) LMNAKMT2AALDH1A1GAAPOLB
SCHEMBL11389555 0.74 LMNA (0.47) LMNAKMT2AALDH1A1GAAPOLB
SCHEMBL9988882 0.73 LMNA (0.51) LMNAKMT2AALDH1A1GAAPOLB
SCHEMBL2436440 0.72 AKR1C3 (0.36) AKR1C3AKR1C2AKR1C1PTGS1KCNQ2
SCHEMBL5470596 0.72 LMNA (0.40) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL21381538 0.71 AKR1C3 (0.37) LMNAKMT2AAKR1C3AKR1C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466690-A Treating psoriasis ALLERGAN, INC. (US) 1995-11-14 US disclosed
US-5354776-A Treating psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP disclosed
US-5246962-A Psoriasis, skin disorders ALLERGAN, INC. (US) 1993-09-21 US disclosed
US-5149705-A Treatment of psoriasis ALLERGAN, INC. (US) 1992-09-22 US disclosed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP disclosed