SCHEMBL30231690

SCHEMBL30231690

Cc1ccccc1-c1cc(=O)oc2cc(OCCC(=O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ HPGD P15428 6/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ USP2 O75604 1/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ MAPT P10636 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAOB P27338 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 2/20 0.48

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
SCHEMBL30231772 0.89 ALDH1A1 (0.74) ALDH1A1HPGDSMN1; SMN2USP2KMT2A
SCHEMBL30231662 0.88 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2USP2KMT2A
SCHEMBL30231695 0.88 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2USP2KMT2A
SCHEMBL30231614 0.87 HPGD (0.60) ALDH1A1HPGDSMN1; SMN2USP2KMT2A
SCHEMBL30231545 0.86 MAPT (0.57) ALDH1A1HPGDSMN1; SMN2USP2KMT2A
SCHEMBL30231961 0.85 MAPT (0.56) ALDH1A1HPGDSMN1; SMN2USP2KMT2A
SCHEMBL30231266 0.83 SIGMAR1 (0.57) ALDH1A1HPGDSMN1; SMN2USP2KMT2A
SCHEMBL30228338 0.81 KCNA3 (0.50) ALDH1A1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL20839059 0.80 ALDH1A1 (0.77) ALDH1A1HPGDUSP2KMT2ATDP1
SCHEMBL20839056 0.80 ALDH1A1 (0.77) ALDH1A1HPGDUSP2KMT2ATDP1

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
WO-2023034340-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
WO-2023034339-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
Send feedback