SCHEMBL6589244

SCHEMBL6589244

CC1C[C@H](c2cc(Br)c(O)c(-c3ccccc3)c2)CC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
AKR1C4 P17516 1/20 0.33
PTPN1 P18031 3/20 0.32
PTPN2 P17706 1/20 0.32
PTPN6 P29350 1/20 0.32
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL6589247 1.00 CRHBP (0.36) CRHBPCRHR2AKR1C3AKR1C2AKR1C1
SCHEMBL6592470 0.91 LMNA (0.39) AKR1C3AKR1C2AKR1C1ALDH1A1LMNA
SCHEMBL6592477 0.91 LMNA (0.39) AKR1C3AKR1C2AKR1C1ALDH1A1LMNA
SCHEMBL6589192 0.84 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL6589188 0.84 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL6590655 0.81 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL6590663 0.81 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL6592593 0.79 ALDH1A1 (0.33) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL6592597 0.79 ALDH1A1 (0.33) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL6589257 0.76 IGF1R (0.35) ALDH1A1CYP1A2CYP2C9CYP2C19HTT

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-1414887-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2004-05-06 EP disclosed
WO-2003010218-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2003-02-06 WO disclosed