SCHEMBL9905989

SCHEMBL9905989

CCCOc1ccc(C(=O)Oc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.57
ACR P10323 2/20 0.57
LMNA P02545 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
NPC1 O15118 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
PLK1 P53350 1/20 0.51
MAPK1 P28482 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50

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
SCHEMBL17515627 0.89 LMNA (0.65) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9905870 0.89 LMNA (0.65) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9760849 0.87 LMNA (0.51) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9760875 0.87 LMNA (0.51) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9762437 0.87 LMNA (0.51) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9761464 0.87 LMNA (0.51) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9761195 0.86 LMNA (0.50) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9761461 0.86 LMNA (0.50) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9761635 0.86 LMNA (0.56) PRSS1ACRLMNACYP1A2CYP2C19
SCHEMBL9905992 0.86 LMNA (0.70) PRSS1ACRLMNACYP1A2CYP2C19

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-8197726-B2 Cellulose acylate film and method for producing same FUJIFILM CORPORATION (JP) 2012-06-12 US disclosed
US-20080111954-A1 Cellulose Acylate Film And Method For Producing Same FUJIFILM CORPORATION (JP) 2008-05-15 US disclosed