SCHEMBL9852720

SCHEMBL9852720

CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 4/20 0.56
▸ ERAP2 Q6P179 4/20 0.56
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ PSMB8 P28062 2/20 0.52
▸ ERAP1 Q9NZ08 2/20 0.51
▸ KISS1R Q969F8 3/20 0.51
▸ CTSS P25774 1/20 0.51
▸ ECE1 P42892 2/20 0.50

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
SCHEMBL9852696 0.91 KISS1R (0.59) KISS1R
SCHEMBL9852721 0.89 PSMB8 (0.56) MMP2MMP9MMP8PSMB8CTSS
SCHEMBL11593454 0.80 KISS1R (0.65) IL1RNERAP2ERAP1KISS1R
SCHEMBL29586130 0.80 ERAP2 (0.68) IL1RNERAP2ERAP1KISS1R
SCHEMBL31452846 0.80 ERAP2 (0.70) IL1RNERAP2ERAP1KISS1RECE1
SCHEMBL5193392 0.80 ALOX15 (0.59) ERAP2MMP2MMP9MMP8ECE1
SCHEMBL9630737 0.80 KISS1R (0.57) KISS1R
SCHEMBL31332432 0.80 IL1RN (0.56) IL1RNERAP2
SCHEMBL31430944 0.80 ERAP2 (0.69) IL1RNERAP2ERAP1ECE1
SCHEMBL29362362 0.80 ERAP2 (0.69) IL1RNERAP2ERAP1KISS1RECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 — — EP disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
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