SCHEMBL9511889

SCHEMBL9511889

Cc1ccc(CCC(C)C(=O)C(C)CCc2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ FFAR1 O14842 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC5A1 P13866 1/20 0.41
▸ SLC5A2 P31639 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ PTGFR P43088 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ LMNA P02545 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
SCHEMBL17590311 0.86 TSHR (0.50) TSHRDPP4CYP1A2CYP2A6TAAR1
SCHEMBL25181550 0.86 TSHR (0.50) TSHRDPP4CYP1A2CYP2A6TAAR1
SCHEMBL660114 0.85 DPP4 (0.51) TSHRDPP4CYP1A2CYP2A6TAAR1
SCHEMBL16314712 0.82 TSHR (0.46) TSHRDPP4TDP1L3MBTL1HPGD
SCHEMBL16314891 0.82 DPP4 (0.43) TSHRDPP4CYP1A2CYP2A6TAAR1
SCHEMBL8432948 0.82 MEN1 (0.46) TSHRDPP4FFAR1TDP1L3MBTL1
SCHEMBL9678140 0.82 TSHR (0.68) TSHRCYP1A2HPGDNPC1RAB9A
SCHEMBL11615201 0.79 ACACB (0.47) TSHRFFAR1HPGDLMNA
SCHEMBL25406954 0.79 DPP4 (0.41) TSHRDPP4CYP1A2CYP2A6TAAR1
SCHEMBL27325037 0.79 CYP1A2 (0.50) DPP4CYP1A2CYP2A6TAAR1FFAR1

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-0430714-B1 Process for producing 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1993-11-10 — — EP disclosed
US-5068480-A Subjecting alkyl substituted toluene compounds to cyclization and dehydrogenation in the presence of a catalyst of lead oxid e and/or indium and aluminum oxide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-11-26 — — US disclosed
EP-0430714-A2 Process for producing 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-06-05 — — EP disclosed
US-5008479-A Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-04-16 — — US disclosed
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