SCHEMBL11764024

SCHEMBL11764024

COc1ccc(CC2C(=C(C)C)CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KCNJ1 P48048 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MMP1 P03956 6/20 0.43
▸ MMP3 P08254 5/20 0.43
▸ MMP9 P14780 4/20 0.43
▸ MMP7 P09237 3/20 0.43
▸ MMP8 P22894 4/20 0.42
▸ MMP2 P08253 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 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
SCHEMBL11766164 0.84 KCNJ1 (0.48) LMNAMAPTKCNJ1KCNH2MMP1
SCHEMBL11762505 0.76 LMNA (0.48) LMNAMAPTKCNJ1KCNH2MMP1
SCHEMBL11768301 0.76 LMNA (0.48) LMNAMAPTKCNJ1KCNH2MMP1
SCHEMBL11762514 0.76 LMNA (0.48) LMNAMAPTKCNJ1KCNH2MMP1
SCHEMBL11760345 0.73 BCHE (0.52) KCNH2ALDH1A1
SCHEMBL16213003 0.69 RAB9A (0.62) LMNAMAPTHCRTR1HCRTR2
SCHEMBL8485172 0.68 CASP3 (0.56) KCNH2
SCHEMBL17323678 0.68 CASP3 (0.51) LMNAMMP1MMP3MMP9MMP7
SCHEMBL6325815 0.66 RAB9A (0.59) LMNAMMP1MMP3MMP9MMP7
SCHEMBL8211716 0.66 RAB9A (0.59) LMNAMMP1MMP3MMP9MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4022792-A ANALGESICS STERLING DRUG INC. (US) 1977-05-10 — — US disclosed
US-3976653-A ANALGESIC ANTAGONIST STERLING DRUG INC. (US) 1976-08-24 — — US disclosed
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