SCHEMBL11459914

SCHEMBL11459914

COC(=O)Cc1ccc2cccc(C(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ MTNR1A P48039 8/20 0.43
▸ CES2 O00748 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ MTNR1B P49286 7/20 0.42
▸ HTR2C P28335 4/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL11459759 0.81 ALDH1A1 (0.55) SLC7A5HPGDMAPTTSHRALDH1A1
SCHEMBL11471170 0.81 HPGD (0.48) SLC7A5HPGDMAPTTSHRALDH1A1
SCHEMBL11472857 0.80 MTNR1A (0.47) SLC7A5HPGDMAPTTSHRALDH1A1
SCHEMBL11471024 0.80 HPGD (0.50) SLC7A5HPGDMAPTTSHRALDH1A1
SCHEMBL11466634 0.80 ALDH1A1 (0.49) SLC7A5HPGDMAPTTSHRALDH1A1
SCHEMBL11478148 0.80 HPGD (0.47) SLC7A5HPGDMAPTTSHRALDH1A1
SCHEMBL2662328 0.79 MEN1 (0.57) HPGDMAPTTSHRALDH1A1GAA
SCHEMBL31170867 0.79 MEN1 (0.57) HPGDMAPTTSHRALDH1A1GAA
SCHEMBL18100986 0.78 HTR2C (0.40) MTNR1ACES2MTNR1BHTR2C
SCHEMBL11462741 0.78 ALDH1A1 (0.48) SLC7A5HPGDMAPTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 — — US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 — — US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 — — US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 — — US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 — — US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 — — US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
Send feedback