SCHEMBL11404654

SCHEMBL11404654

CCCCC1CCC(c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.53
▸ ACR P10323 1/20 0.53
▸ LMNA P02545 5/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NFKB1 P19838 3/20 0.49
▸ NFKB2 Q00653 3/20 0.49
▸ RELA Q04206 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL11411517 0.98 PRSS1 (0.55) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL11295665 0.97 LMNA (0.52) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL11295659 0.97 LMNA (0.52) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL11407335 0.96 LMNA (0.53) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL11411707 0.96 LMNA (0.53) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL11416416 0.96 LMNA (0.53) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL11410877 0.95 LMNA (0.56) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL11407767 0.94 LMNA (0.57) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL11406368 0.94 LMNA (0.54) PRSS1ACRLMNACYP2C9NPC1
SCHEMBL9589714 0.93 LMNA (0.53) PRSS1ACRLMNACYP2C9NPC1

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 — — US disclosed
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