SCHEMBL3923942

SCHEMBL3923942

C#Cc1ccc(OCCCCCCCC)c2c1C1c3ccccc3C2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL3932276 0.79 MEN1 (0.53) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL3927501 0.78 SOAT1 (0.37) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL3929052 0.78 PTPN11 (0.36) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL5929953 0.76 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL4461566 0.76 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL3469016 0.76 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL10430488 0.76 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL3935979 0.75 LTA4H (0.47) LMNAMAPTALDH1A1HPGDHTT
SCHEMBL11342206 0.75 CYP1A2 (0.49) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL22090628 0.73 CNR2 (0.43) MEN1KMT2ANR1I2LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313785-B1 COMPOSITION COMPRISING IPTYCENE POLYMERS WITH HIGH INTERNAL VOLUME MASSACHUSETTS INST TECHNOLOGY (US) 2009-04-01 EP disclosed
US-7494698-B2 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-24 US disclosed
US-20080188634-A1 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-08-07 US disclosed
US-20040170775-A1 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-09-02 US disclosed
US-6783814-B2 GRAFT POLYMER OF POROUS POLYMER AND INTERPENETRATING POLYMER NETWORK MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-08-31 US disclosed
US-20020150697-A1 Polymers with high internal free volume NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA 2002-10-17 US disclosed