SCHEMBL31179720

SCHEMBL31179720

Cc1cc(O)c2c(c1)OC(=O)CC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
THRB P10828 2/20 0.34
DAO P14920 1/20 0.33
ALDH2 P05091 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
ACHE P22303 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.31
PIM1 P11309 1/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL1455080 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL25211754 0.83 ALOX15 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28695701 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL25253856 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDALDH2
SCHEMBL25246567 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29599864 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7028905 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL10298940 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL31179723 0.75 KDM4E (0.33) ALDH1A1KDM4EHPGD
SCHEMBL25259464 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMEN1KMT2A

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
EP-4720050-A1 PROCESS OF PREPARING HIV CAPSID INHIBITOR GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
WO-2024249672-A1 PROCESS OF PREPARING HIV CAPSID INHIBITOR GILEAD SCIENCES, INC. (US) 2024-12-05 WO disclosed