SCHEMBL8415926

SCHEMBL8415926

COC(=O)CCc1c(OC)cccc1C(=O)CCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.49
HDAC1 Q13547 1/20 0.49
TSHR P16473 1/20 0.45
PDE4B Q07343 1/20 0.43
NPC1 O15118 1/20 0.42
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
LMNA P02545 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL8413242 0.86 HDAC8 (0.46) HDAC8HDAC1TSHRNPC1LTB4R
SCHEMBL8686236 0.82 LTB4R (0.59) HDAC1LTB4RLTB4R2
SCHEMBL8777227 0.80 PDE3B (0.49) TSHRLMNAALDH1A1TAAR1
SCHEMBL27688476 0.79 HDAC8 (0.68) HDAC8HDAC1PDE4BNPC1LMNA
SCHEMBL27707962 0.78 HDAC8 (0.71) HDAC8HDAC1TSHRNPC1LMNA
SCHEMBL6626765 0.77 HDAC8 (0.66) HDAC8HDAC1PDE4BNPC1LMNA
SCHEMBL7499747 0.74 HDAC8 (0.55) HDAC8HDAC1PDE4BNPC1LMNA
SCHEMBL27990055 0.74 PDE3B (0.44) TSHRALDH1A1
SCHEMBL8686238 0.73 PPARG (0.49)
SCHEMBL27694603 0.73 TSHR (0.48) TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001877-A OF GIVEN FORMULA, WHICH ACTS AS AN ANTAGONIST OF LEUKOTRIENES; ADMINISTERING TO TREAT LEUKOTRIENE-B4 INDUCED DISEASES, SUCH AS ALLERGIES AND INFLAMMATION ONO PHARMACEUTICAL CO., LTD. (JP) 1999-12-14 US disclosed
EP-0405116-B1 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO (JP) 1995-12-06 EP disclosed
US-5457122-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
US-5256686-A Antiinflammatory agent, antiallergens ONO PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
US-5155104-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5086065-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-04 US disclosed
EP-0405116-A2 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed