SCHEMBL9601474

SCHEMBL9601474

CCCCc1ccc([O])cc1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.47
▸ CTRC Q99895 1/20 0.43
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38

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
SCHEMBL8994657 0.82 TYR (0.52) TYRTSHRMEN1KMT2ATP53
SCHEMBL10822713 0.80 PRKCI (0.36) TYRALOX5GABRA1GABRB2PLK1
SCHEMBL3425680 0.78 TSHR (0.44) TYRTSHRMEN1KMT2ATP53
SCHEMBL4630596 0.76 PSMB5 (0.40) TLR8
SCHEMBL9485320 0.76 SKP2 (0.52) TYRTSHRMEN1KMT2ATP53
SCHEMBL7308110 0.76 HTT (0.42) TYRCTRCTSHRMEN1KMT2A
SCHEMBL28094009 0.76 TYR (0.48) TYRCTRCTSHRMEN1KMT2A
SCHEMBL11682168 0.75 TYR (0.50) TYRCTRCTSHRMEN1KMT2A
SCHEMBL11347930 0.74 TYR (0.47) TYRCTRCTSHRMEN1KMT2A
SCHEMBL17967425 0.74 TYR (0.47) TYRCTRCTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313943-B1 1,2-NAPHTALOCYANINE NEAR-INFRARED ABSORBENT AND RECORDING/DISPLAY MATERIALS USING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 — — EP disclosed
US-4960538-A LIGHT, WEATHER, THERMAL RESISTANCE MITSUI TOATSU CHEMICALS, INC (JP) 1990-10-02 — — US disclosed
EP-0313943-A2 1,2-naphtalocyanine near-infrared absorbent and recording/display materials using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-05-03 — — EP disclosed
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