SCHEMBL26908613

SCHEMBL26908613

CC(C)c1ccc(C=O)cc1C=O.CC(CO)(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TYR P14679 2/20 0.37
KDM4E B2RXH2 2/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A3 P47895 2/20 0.33
AOX1 Q06278 1/20 0.32
TRIM24 O15164 1/20 0.32
HPGD P15428 1/20 0.32
ALDH5A1 P51649 1/20 0.32
ABAT P80404 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
FDPS P14324 1/20 0.30

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
SCHEMBL26908555 0.88 TYR (0.38) ALDH1A1TYRKDM4EPTGS2RAB9A
SCHEMBL26908538 0.85 ALDH1A1 (0.40) ALDH1A1TYRKDM4EPTGS2RAB9A
SCHEMBL29818656 0.85 TYR (0.48) ALDH1A1TYRKDM4EPTGS2RAB9A
SCHEMBL3117644 0.85 TYR (0.48) ALDH1A1TYRKDM4EPTGS2RAB9A
SCHEMBL26908515 0.84 TYR (0.37) ALDH1A1TYRHSP90AA1HSP90AB1
SCHEMBL26908620 0.82 HSP90AA1 (0.36) ALDH1A1TYRHSP90AA1HSP90AB1
SCHEMBL26908556 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EPTGS2RAB9AALDH1A3
SCHEMBL26908603 0.78 ALDH1A3 (0.44) ALDH1A1KDM4EPTGS2RAB9AALDH1A3
SCHEMBL26908557 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EPTGS2RAB9AALDH1A3
SCHEMBL26908572 0.76 ALDH1A1 (0.38) ALDH1A1TYRKDM4EPTGS2RAB9A

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
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 EP disclosed