SCHEMBL8960351

SCHEMBL8960351

CC(=CCS)Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARD Q03181 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
BTN3A1 O00481 1/20 0.33
PYCR1 P32322 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
SCHEMBL9189820 0.82 CA2 (0.42) TAAR1
SCHEMBL4313733 0.80 CES1 (0.41) KMT2AMEN1HPGD
SCHEMBL4372316 0.79 KMT2A (0.37) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL9007016 0.79 TAAR1 (0.41) TAAR1EGFRERBB2PYCR1
SCHEMBL6666661 0.78 KMT2A (0.33) KMT2AMEN1KDM4E
SCHEMBL6111530 0.77 HDAC8 (0.31)
SCHEMBL9190392 0.74 LMNA (0.46) KMT2AMEN1KDM4ENPC1SMN1; SMN2
SCHEMBL12494322 0.73 KMT2A (0.42) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL10439461 0.72 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL1699734 0.72 PDPK1 (0.47) KMT2AMEN1L3MBTL1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516904-A SKIN AND IMMUNE DISORDERS; ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS ALLERGAN, INC. (US) 1996-05-14 US disclosed
EP-0436398-B1 Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity ALLERGAN INC (US) 1996-01-31 EP disclosed
EP-0405028-B1 Thiochroman esters of phenols and terephthalates having retinoid-like activity ALLERGAN INC (US) 1995-10-11 EP disclosed
US-5414007-A Skin disorders ALLERGAN, INC. (US) 1995-05-09 US disclosed
US-5349105-A Skin disorder ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5264456-A Skin disorders, anticarcinogenic agents, antiarthritic agents, immunology or wound healing agents ALLERGAN, INC. (US) 1993-11-23 US disclosed
US-5202471-A Skin disorders ALLERGAN, INC. (US) 1993-04-13 US disclosed
US-5175185-A Antiacne agents ALLERGAN, INC. (US) 1992-12-29 US disclosed
EP-0436398-A1 Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity ALLERGAN, INC. (US) 1991-07-10 EP disclosed
US-5015658-A Treatment of skin disorders such as psoriasis ALLERGAN, INC. (US) 1991-05-14 US disclosed
US-5013744-A Skin disorders ALLERGAN, INC. (US) 1991-05-07 US disclosed
EP-0405028-A1 Thiochroman esters of phenols and terephthalates having retinoid-like activity ALLERGAN, INC (US) 1991-01-02 EP disclosed
US-4895868-A PSORIASIS, SKIN DISORDERS, ANTIARTHRITIC, WOUND HEALING, EYE DRYNESS ALLERGAN, INC. (US) 1990-01-23 US disclosed