SCHEMBL8903306

SCHEMBL8903306

CCCCC1CCC(OC(=O)Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.51
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.38
TLR4 O00206 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
CYP19A1 P11511 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
SCHEMBL9723969 0.95 NAAA (0.47) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL8905030 0.95 NAAA (0.47) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL8904490 0.93 NAAA (0.46) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL11006105 0.89 NAAA (0.40) NAAAMAPTPOLBHPGDLMNA
SCHEMBL8904486 0.89 NAAA (0.40) NAAAMAPTPOLBHPGDLMNA
SCHEMBL11072609 0.85 NAAA (0.43) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL11128540 0.84 TLR4 (0.43) NAAAMAPTLMNATLR4KMT2A
SCHEMBL5180274 0.84 NAAA (0.52) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL10680031 0.82 NAAA (0.51) NAAAMAPTCYP1A2POLBHPGD
SCHEMBL28631044 0.82 NAAA (0.55) NAAAMAPTCYP1A2POLBHPGD

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-5656198-A DISPLAY DEVICE CITIZEN WATCH CO., LTD. (JP) 1997-08-12 US disclosed
US-4490278-A Liquid crystal substituted trans-4-n-alkylcyclohexanes and subst.-3-subst.-benzoyloxy-[trans-4-n-alkylcyclohexane]s VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DE) 1984-12-25 US disclosed