SCHEMBL21773302

SCHEMBL21773302

CCCCC1=C(C)[C](C)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.41
▸ TSHR P16473 1/20 0.39
▸ PSMB5 P28074 1/20 0.36
▸ PTPN1 P18031 3/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35
▸ NR1H3 Q13133 1/20 0.34
▸ GCGR P47871 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL8754909 0.76 HSD11B1 (0.39) HSD11B1TSHRPSMB5PTPN1GPR84
SCHEMBL1817005 0.69 PTGS2 (0.46) PTPN1
SCHEMBL27876741 0.67 GCGR (0.49) HSD11B1TSHRPSMB5PTPN1GPR84
SCHEMBL8755192 0.67 PTPN1 (0.34) HSD11B1TSHRPTPN1GPR84HTT
Biphenyl SCHEMBL15347228 0.66 ALDH1A1 (0.56) HSD11B1TSHRGPR84HTTSIGMAR1
Biphenyl SCHEMBL5868585 0.66 ALDH1A1 (0.56) HSD11B1TSHRGPR84NR1H3
Biphenyl SCHEMBL27954388 0.66 LIPG (0.48) HSD11B1TSHRGPR84NR1H3ADORA3
SCHEMBL3223722 0.65 ALDH1A1 (0.40) TSHRACHEHTT
SCHEMBL402463 0.65 HSD11B1 (0.68) HSD11B1TSHRPSMB5
SCHEMBL9158283 0.65 HSD11B1 (0.68) HSD11B1TSHRPSMB5

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
US-20200071428-A1 CATALYST SYSTEM FOR MULTI-BLOCK COPLOYMER FORMATION DOW GLOBAL TECHNOLOGIES LLC 2020-03-05 — — US disclosed
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