SCHEMBL9190384

SCHEMBL9190384

CC(=O)Oc1ccc(SCC=C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 4/20 0.47
ELANE P08246 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
HSP90AA1 P07900 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TTR P02766 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4729846 0.83 LMNA (0.47) HSD17B10TSHRHTTLMNAELANE
SCHEMBL7721670 0.80 LMNA (0.55) HSD17B10TSHRHTTLMNAELANE
SCHEMBL5793633 0.79 LMNA (0.53) HSD17B10TSHRHTTLMNAELANE
SCHEMBL9462460 0.76 ALDH1A1 (0.68) HSD17B10TSHRHTTLMNAELANE
SCHEMBL12503624 0.76 PTGS2 (0.53) HSD17B10TSHRHTTLMNAELANE
SCHEMBL9856324 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAACYP3A4MTNR1A
SCHEMBL25665594 0.75 PPARG (0.57) HSD17B10TSHRHTTLMNAELANE
SCHEMBL8412916 0.75 LMNA (0.48) HSD17B10TSHRHTTLMNAELANE
SCHEMBL9189810 0.74 CA2 (0.41) HSD17B10TSHRLMNAALDH1A1MAPT
SCHEMBL156359 0.74 PTGS2 (0.60) HSD17B10TSHRHTTELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405028-B1 Thiochroman esters of phenols and terephthalates having retinoid-like activity ALLERGAN INC (US) 1995-10-11 EP disclosed
US-5015658-A Treatment of skin disorders such as psoriasis ALLERGAN, INC. (US) 1991-05-14 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