SCHEMBL8615577

SCHEMBL8615577

CC(C)(C)c1cccc(OC(=O)O)c1C(C)(C)C.Cc1ccc(OC(=O)Oc2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RY1 P47900 1/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
ELANE P08246 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL247427 0.86 TDP1 (0.47) ALDH1A1TDP1ATMNPSR1KDM4E
SCHEMBL247541 0.85 ATM (0.46) ALDH1A1LMNATDP1ATMMAPT
SCHEMBL246229 0.81 TDP1 (0.45) ALDH1A1TDP1ATMNPSR1KDM4E
SCHEMBL7650978 0.74 CYP1A2 (0.38) ALDH1A1TDP1ATML3MBTL1CYP1A2
SCHEMBL1156978 0.73 ATM (0.46) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL2050525 0.73 TDP1 (0.41) ALDH1A1TDP1ATMNPSR1KDM4E
SCHEMBL247585 0.72 TDP1 (0.58) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL47808 0.71 TDP1 (0.65) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL31304747 0.71 TDP1 (0.65) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL700592 0.71 KDM4E (0.42) ALDH1A1TDP1ATMMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852156-A Polycarbonate composition ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-12-22 US disclosed