SCHEMBL9650689

SCHEMBL9650689

O=C(c1ccccc1)c1ccc(C(C(=O)O)(C(=O)O)C(=O)O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TSHR P16473 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ AKR1C3 P42330 1/20 0.37
▸ ALOX15 P16050 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35

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
SCHEMBL24611536 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL9652626 0.78 KMT2A (0.38) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL9650735 0.77 ELANE (0.41) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL10936301 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL14301059 0.72 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL9792276 0.72 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL9792295 0.72 MEN1 (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4474685 0.70 PTPN1 (0.53) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL10939460 0.70 CA2 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL17261572 0.69 MMP1 (0.53) ALDH1A1ATMTDP1L3MBTL1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613315-A Synthesis method of ketorolac intermediate 鲁南制药集团股份有限公司 2025-03-14 — — CN disclosed
CN-119613316-A Synthesis method of ketorolac key intermediate 鲁南制药集团股份有限公司 2025-03-14 — — CN disclosed
EP-0480465-A2 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1,-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-04-15 — — EP disclosed
US-5082950-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (II) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 — — US disclosed
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