SCHEMBL22319323

SCHEMBL22319323

O=C(O)CCC(NC(=O)C1CCC(=O)N1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.46
▸ RIMKLA Q8IXN7 1/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.46
▸ HDAC3 O15379 8/20 0.46
▸ HDAC11 Q96DB2 8/20 0.46
▸ HDAC6 Q9UBN7 8/20 0.46
▸ HDAC1 Q13547 7/20 0.46
▸ HDAC2 Q92769 7/20 0.46
▸ HDAC10 Q969S8 7/20 0.46
▸ HDAC8 Q9BY41 7/20 0.46
▸ NCOR2 Q9Y618 3/20 0.46
▸ POLB P06746 1/20 0.42
▸ TRHR P34981 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL11173161 1.00 FOLH1 (0.46) FOLH1RIMKLANAALAD2HDAC3HDAC11
SCHEMBL22319322 1.00 FOLH1 (0.46) FOLH1RIMKLANAALAD2HDAC3HDAC11
SCHEMBL30844021 0.95 HDAC3 (0.47) FOLH1RIMKLANAALAD2HDAC3HDAC11
SCHEMBL159687 0.89 OPRK1 (0.44) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL27905689 0.89 OPRK1 (0.44) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL159688 0.89 OPRK1 (0.44) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL31199142 0.87 HDAC3 (0.40) FOLH1RIMKLANAALAD2HDAC3HDAC11
SCHEMBL31672199 0.86 TRHR (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL8672575 0.86 NAALAD2 (0.53) FOLH1NAALAD2HDAC3HDAC11HDAC6
SCHEMBL8672571 0.86 NAALAD2 (0.53) FOLH1NAALAD2HDAC3HDAC11HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3693357-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDONE CARBOXYLIC ACID OR ALKALI METAL SALT THEREOF AJINOMOTO KK (JP) 2024-05-15 — — EP claimed
EP-3693357-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDONE CARBOXYLIC ACID OR ALKALI METAL SALT THEREOF AJINOMOTO CO., INC. (JP) 2020-08-12 — — EP claimed
EP-3693357-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDONE CARBOXYLIC ACID OR ALKALI METAL SALT THEREOF AJINOMOTO KK (JP) 2024-05-15 — — EP disclosed
EP-3693357-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE PYRROLIDONE CARBOXYLIC ACID OR ALKALI METAL SALT THEREOF AJINOMOTO CO., INC. (JP) 2020-08-12 — — EP disclosed
CN-110891934-A Process for producing optically active pyrrolidone carboxylic acid or alkali metal salt thereof 味之素株式会社 2020-03-17 — — CN disclosed
Send feedback