SCHEMBL11015800

SCHEMBL11015800

CCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)s3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ RARB P10826 8/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ RARA P10276 2/20 0.50
▸ MTOR P42345 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ESR1 P03372 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SHBG P04278 1/20 0.47

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
SCHEMBL11015834 0.98 KDM4E (0.49) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL11017540 0.95 KDM4E (0.49) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL11016961 0.94 KDM4E (0.44) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL11013515 0.92 KDM4E (0.49) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL4950539 0.92 KCNH2 (0.41) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL4947793 0.92 KCNH2 (0.41) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL4949286 0.92 KCNH2 (0.41) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL13410303 0.90 TSHR (0.39) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL4949276 0.90 KCNH2 (0.40) HSD17B10TSHRALDH1A1MEN1MAPT
SCHEMBL6418550 0.90 HSD17B10 (0.57) HSD17B10TSHRRARBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144013-A2 Thienothiophene derivatives MERCK PATENT GmbH (DE) 1985-06-12 — — EP disclosed
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